CAS 16308-82-0 | Benzoic acid, 2,4-dihydroxy-3,5,6-trimethyl- | CAS Number 16308-82-0

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16308-82-0 | Benzoic acid, 2,4-dihydroxy-3,5,6-trimethyl-

CAS No: 16308-82-0 Catalog No: AG001TO2 MDL No:

Product Description

Catalog Number:

AG001TO2

Chemical Name:

Benzoic acid, 2,4-dihydroxy-3,5,6-trimethyl-

CAS Number:

16308-82-0

Molecular Formula:

C10H12O4

Molecular Weight:

196.1999

IUPAC Name:

2,4-dihydroxy-3,5,6-trimethylbenzoic acid

InChI:

InChI=1S/C10H12O4/c1-4-5(2)8(11)6(3)9(12)7(4)10(13)14/h11-12H,1-3H3,(H,13,14)

InChI Key:

NZGSNQJCTOMELT-UHFFFAOYSA-N

SMILES:

OC(=O)c1c(C)c(C)c(c(c1O)C)O

Properties

Complexity:

228

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

196.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

196.202g/mol

Monoisotopic Mass:

196.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
[Studies on chemical constituents of Illicium simonsii].	Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20110501
[Studies on chemical constituents from herbs of Usnea longissima].	Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20090301