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226 hits found in 0.16 seconds.
Search terms: C4H8O3

Found by empirical formula

GridTileTableRecordChemReferEntrezPubChem

1

ID

Structure

Empirical Formula

Molecular Weight

Monoisotopic Mass, Da

LogP

ACD/LogD (pH 5.5)

ACD/LogD (pH 7.4)

InChI=1/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)

C₄H₈O₃

104.1045

104.047344

ACD/LogP:	-1.14
XLogP:	-0.70
ALOGPS:	-0.47

-2.3

-4.09

InChI=1/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)

C₄H₈O₃

104.1045

104.047344

ACD/LogP:	-1.14
XLogP:	-0.50
ALOGPS:	-0.50

-2.4

-4.18

InChI=1/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)

C₄H₈O₃

104.1045

104.047344

ACD/LogP:	-0.70
XLogP:	-0.60
ALOGPS:	-0.63

-1.6

-3.41

C₄H₈O₃

104.1045

104.047344

ALOGPS:

-0.65

-0.65

C₄H₈O₃

104.1045

104.047344

ALOGPS:

-0.72

-0.72

InChI=1/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)

C₄H₈O₃

104.1045

104.047344

ACD/LogP:	-0.17
XLogP:	-0.20
ALOGPS:	-0.16

-2.29

-3.74

InChI=1/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)

C₄H₈O₃

104.1045

104.047344

ACD/LogP:	-0.35
XLogP:	-0.50
ALOGPS:	-0.37

-2.26

-3.83

InChI=1/C4H8O3/c1-2-7-4(6)3-5/h5H,2-3H2,1H3

C₄H₈O₃

104.1045

104.047344

ACD/LogP:	-0.54
XLogP:	-0.40
ALOGPS:	-0.09

-0.53

-0.53

InChI=1/C4H8O3/c1-2-7-3-4(5)6/h2-3H2,1H3,(H,5,6)

C₄H₈O₃

104.1045

104.047344

ACD/LogP:	-0.43
XLogP:	-0.20
ALOGPS:	0.15

-2.38

-3.93

InChI=1/C4H8O3/c1-6-2-3-7-4-5/h4H,2-3H2,1H3

C₄H₈O₃

104.1045

104.047344

ACD/LogP:	-0.22
XLogP:	-0.20
ALOGPS:	-0.14

-0.22

-0.22

InChI=1/C4H8O3/c5-1-4-2-6-3-7-4/h4-5H,1-3H2

C₄H₈O₃

104.1045

104.047344

ACD/LogP:	-0.97
XLogP:	-0.90
ALOGPS:	-1.12

-0.97

-0.97

InChI=1/C4H8O3/c1-2-6-4-7-3-5-1/h1-4H2

C₄H₈O₃

104.1045

104.047344

ACD/LogP:	-0.93
XLogP:	-0.30
ALOGPS:	-0.71

-0.93

-0.93

InChI=1/C4H8O3/c1-5-4-6-2-3-7-4/h4H,2-3H2,1H3

C₄H₈O₃

104.1045

104.047344

ACD/LogP:	-0.78
XLogP:	-0.30
ALOGPS:	-0.54

-0.78

-0.78

InChI=1/C4H8O3/c1-2-3-7-4(5)6/h2-3H2,1H3,(H,5,6)

C₄H₈O₃

104.1045

104.047344

ACD/LogP:	0.84
XLogP:	0.90
ALOGPS:	1.11

-0.56

-2.32

InChI=1/C4H8O3/c1-4(5)7-3-6-2/h3H2,1-2H3

C₄H₈O₃

104.1045

104.047344

ACD/LogP:	0.02
XLogP:	0.20
ALOGPS:	-0.07

0.02

0.02

InChI=1/C4H8O3/c5-4-1-6-3-7-2-4/h4-5H,1-3H2

C₄H₈O₃

104.1045

104.047344

ACD/LogP:	-1.08
XLogP:	-0.90

-1.08

-1.08

InChI=1/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3

C₄H₈O₃

104.1045

104.047344

ACD/LogP:	-0.90
XLogP:	-0.60
ALOGPS:	-0.45

-0.9

-0.9

InChI=1/C4H8O3/c1-6-3-4(5)7-2/h3H2,1-2H3

C₄H₈O₃

104.1045

104.047344

ACD/LogP:	0.01
XLogP:	-0.30
ALOGPS:	-0.11

0.01

0.01

InChI=1/C4H8O3/c5-3-1-7-2-4(3)6/h3-6H,1-2H2

C₄H₈O₃

104.1045

104.047344

ACD/LogP:	-1.12
XLogP:	-1.10

-1.12

-1.12

InChI=1/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1

C₄H₈O₃

104.1045

104.047344

ACD/LogP:	-1.14
XLogP:	-0.50

-2.4

-4.18

1

Royal Society of Chemistry