CAS 141-14-0 | 6-Octen-1-ol, 3,7-dimethyl-, 1-propanoate | CAS Number 141-14-0

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141-14-0 | 6-Octen-1-ol, 3,7-dimethyl-, 1-propanoate

CAS No: 141-14-0 Catalog No: AG001FPU MDL No:MFCD00027010

Product Description

Catalog Number:

AG001FPU

Chemical Name:

6-Octen-1-ol, 3,7-dimethyl-, 1-propanoate

CAS Number:

141-14-0

Molecular Formula:

C13H24O2

Molecular Weight:

212.3285

MDL Number:

MFCD00027010

IUPAC Name:

3,7-dimethyloct-6-enyl propanoate

InChI:

InChI=1S/C13H24O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,12H,5-6,8-10H2,1-4H3

InChI Key:

POPNTVRHTZDEBW-UHFFFAOYSA-N

SMILES:

CCC(=O)OCCC(CCC=C(C)C)C

FEMA Number:

2316

Properties

Complexity:

203

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

212.178g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

212.333g/mol

Monoisotopic Mass:

212.178g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.2

Literature

Title	Journal
Poisson parameters of antimicrobial activity: a quantitative structure-activity approach.	International journal of molecular sciences 20120101
Water soluble fractions of rose-scented geranium (Pelargonium species) essential oil.	Bioresource technology 20020901