CAS 918-85-4 | 3-Methyl-1-penten-3-ol, 98% | CAS Number 918-85-4

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918-85-4 | 3-Methyl-1-penten-3-ol, 98%

CAS No: 918-85-4 Catalog No: AG003JOS MDL No:MFCD00004481

Product Description

Catalog Number:

AG003JOS

Chemical Name:

3-Methyl-1-penten-3-ol, 98%

CAS Number:

918-85-4

Molecular Formula:

C6H12O

Molecular Weight:

100.1589

MDL Number:

MFCD00004481

IUPAC Name:

3-methylpent-1-en-3-ol

InChI:

InChI=1S/C6H12O/c1-4-6(3,7)5-2/h4,7H,1,5H2,2-3H3

InChI Key:

HFYAEUXHCMTPOL-UHFFFAOYSA-N

SMILES:

CC(C=C)(CC)O

EC Number:

213-044-2

NSC Number:

128156

Properties

Complexity:

68.6

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

100.089g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

100.161g/mol

Monoisotopic Mass:

100.089g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

Title	Journal
Studies of the gas phase reactions of linalool, 6-methyl-5-hepten-2-ol and 3-methyl-1-penten-3-ol with O3 and OH radicals.	The journal of physical chemistry. A 20120621
Selective hydrogenation by Pd nanoparticles embedded in polyelectrolyte multilayers.	Journal of the American Chemical Society 20040310