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(3Z)-Hex-3-en-1-ol

ChemSpider ID: 21105914
Molecular Formula: C₆H₁₂O
Average mass: 100.158897 Da
Monoisotopic mass: 100.088814 Da
Systematic name

(3Z)-3-Hexen-1-ol
SMILES and InChIs

SMILES:

CC\C=C/CCO Copied

Std. InChI:

InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3- Copied

Std. InChIKey:

UFLHIIWVXFIJGU-ARJAWSKDSA-N Copied
Cite this record
CSID:21105914, http://www.chemspider.com/Chemical-Structure.21105914.html (accessed 08:01, May 24, 2013) Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

(3Z)-Hex-3-en-1-ol

(3Z)-3-Hexen-1-ol

(Z)-hex-3-en-1-ol

3-Hexen-1-ol [ACD/IUPAC Name]

3-Hexen-1-ol, (3Z)-

3-Hexen-1-ol, (Z)-

3-Hexen-1-ol, cis-

928-96-1 [RN]

cis-3-Hexen-1-ol

cis-Hex-3-en-1-ol

More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

CHEBI:28857 [DBID]

53056_FLUKA [DBID]

bmse000369 [DBID]

H12900_ALDRICH [DBID]

W256307_ALDRICH [DBID]

W256323_ALDRICH [DBID]

ACD/LogP:	1.697	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	1.70	ACD/LogD (pH 7.4):	1.70
ACD/BCF (pH 5.5):	11.48	ACD/BCF (pH 7.4):	11.48
ACD/KOC (pH 5.5):	199.64	ACD/KOC (pH 7.4):	199.64
#H bond acceptors:	1	#H bond donors:	1
#Freely Rotating Bonds:	4	Polar Surface Area:	20.23 Å²
Index of Refraction:	1.442	Molar Refractivity:	31.439 cm³
Molar Volume:	118.697 cm³	Polarizability:	12.463 10^-24cm³
Surface Tension:	28.7299995422363 dyne/cm	Density:	0.844 g/cm³
Flash Point:	44.444 °C	Enthalpy of Vaporization:	45.796 kJ/mol
Boiling Point:	156.499 °C at 760 mmHg	Vapour Pressure:	1.03900003433228 mmHg at 25°C

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Toxicology/Environmental Databases	Virtual Library

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(3Z)-Hex-3-en-1-ol

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