CAS 16846-10-9 | Benzoic acid, 2,6-dihydroxy-4-methyl-, methyl ester | CAS Number 16846-10-9

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16846-10-9 | Benzoic acid, 2,6-dihydroxy-4-methyl-, methyl ester

CAS No: 16846-10-9 Catalog No: AG001Y2R MDL No:MFCD00012063

Product Description

Catalog Number:

AG001Y2R

Chemical Name:

Benzoic acid, 2,6-dihydroxy-4-methyl-, methyl ester

CAS Number:

16846-10-9

Molecular Formula:

C9H10O4

Molecular Weight:

182.1733

MDL Number:

MFCD00012063

IUPAC Name:

methyl 2,6-dihydroxy-4-methylbenzoate

InChI:

InChI=1S/C9H10O4/c1-5-3-6(10)8(7(11)4-5)9(12)13-2/h3-4,10-11H,1-2H3

InChI Key:

RIJMQNGJNNAAQK-UHFFFAOYSA-N

SMILES:

COC(=O)c1c(O)cc(cc1O)C

EC Number:

240-870-0

NSC Number:

37990

Properties

Complexity:

180

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

182.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

182.175g/mol

Monoisotopic Mass:

182.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Cytotoxic and antimicrobial constituents of the bark of Diospyros maritima collected in two geographical locations in Indonesia.	Journal of natural products 20040701
Composition of volatile oil of Primula obconica in Central China.	Natural product letters 20020801