CAS 603-80-5 | 3-Hydroxy-2-methylbenzoic acid | CAS Number 603-80-5

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603-80-5 | 3-Hydroxy-2-methylbenzoic acid

CAS No: 603-80-5 Catalog No: AG0033Q6 MDL No:MFCD00671541

Product Description

Catalog Number:

AG0033Q6

Chemical Name:

3-Hydroxy-2-methylbenzoic acid

CAS Number:

603-80-5

Molecular Formula:

C8H8O3

Molecular Weight:

152.1473

MDL Number:

MFCD00671541

IUPAC Name:

3-hydroxy-2-methylbenzoic acid

InChI:

InChI=1S/C8H8O3/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,9H,1H3,(H,10,11)

InChI Key:

RIERSGULWXEJKL-UHFFFAOYSA-N

SMILES:

OC(=O)c1cccc(c1C)O

NSC Number:

73133

Properties

Complexity:

155

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

152.047g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

152.149g/mol

Monoisotopic Mass:

152.047g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
Bis(3-methyl-phenolato-κO)(nitros-yl-κN)[tris-(3,5-dimethyl-pyrazol-1-yl-κN)hydridoborato]molybdenum(II).	Acta crystallographica. Section E, Structure reports online 20101001
[Secondary metabolites of mangrove endophytic fungus SK5 in the South China Sea].	Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials 20091201