CAS 27129-87-9 | (3,5-Dimethylphenyl);methanol | CAS Number 27129-87-9

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27129-87-9 | (3,5-Dimethylphenyl);methanol

CAS No: 27129-87-9 Catalog No: AG003IOW MDL No:MFCD00004648

Product Description

Catalog Number:

AG003IOW

Chemical Name:

(3,5-Dimethylphenyl);methanol

CAS Number:

27129-87-9

Molecular Formula:

C9H12O

Molecular Weight:

136.1910

MDL Number:

MFCD00004648

IUPAC Name:

(3,5-dimethylphenyl)methanol

InChI:

InChI=1S/C9H12O/c1-7-3-8(2)5-9(4-7)6-10/h3-5,10H,6H2,1-2H3

InChI Key:

IQWWTJDRVBWBEL-UHFFFAOYSA-N

SMILES:

OCc1cc(C)cc(c1)C

EC Number:

248-241-2

Properties

Complexity:

90.9

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

136.089g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

136.194g/mol

Monoisotopic Mass:

136.089g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Oligomerization of 3,5-dimethyl benzyl alcohol promoted by clay: experimental and theoretical study.	Molecules (Basel, Switzerland) 20101111
Synthesis and hypnotic activities of 4-thio analogues of N3-substituted uridines.	Chemical & pharmaceutical bulletin 20010901