CAS 480-67-1 | 2,6-Dihydroxy-4-methylbenzoic acid | CAS Number 480-67-1

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480-67-1 | 2,6-Dihydroxy-4-methylbenzoic acid

CAS No: 480-67-1 Catalog No: AG00331P MDL No:MFCD00184686

Product Description

Catalog Number:

AG00331P

Chemical Name:

2,6-Dihydroxy-4-methylbenzoic acid

CAS Number:

480-67-1

Molecular Formula:

C8H8O4

Molecular Weight:

168.1467

MDL Number:

MFCD00184686

IUPAC Name:

2,6-dihydroxy-4-methylbenzoic acid

InChI:

InChI=1S/C8H8O4/c1-4-2-5(9)7(8(11)12)6(10)3-4/h2-3,9-10H,1H3,(H,11,12)

InChI Key:

YBZAVRDNSPUMFK-UHFFFAOYSA-N

SMILES:

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

Properties

Complexity:

168

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

168.042g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

168.148g/mol

Monoisotopic Mass:

168.042g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Literature

Title	Journal
Chloropupukeanolides C-E: cytotoxic pupukeanane chlorides with a spiroketal skeleton from Pestalotiopsis fici.	Chemistry (Weinheim an der Bergstrasse, Germany) 20110225
Chloropestolide A, an antitumor metabolite with an unprecedented spiroketal skeleton from Pestalotiopsis fici.	Organic letters 20090702