Name: Name:1,3-Benzenedicarboxylic acid, 4-methyl-, 3-methyl ester
Brand: Angene
SKU: AG001X9S
Rating: 90 (10 reviews)

1,3-Benzenedicarboxylic acid, 4-methyl-, 3-methyl ester

CAS No.:

167300-06-3

Catalog Number:

AG001X9S

Molecular Formula:

C10H9O4-

Molecular Weight:

193.1761

Catalog Number:

AG001X9S

Chemical Name:

1,3-Benzenedicarboxylic acid, 4-methyl-, 3-methyl ester

CAS Number:

167300-06-3

Molecular Formula:

C10H9O4-

Molecular Weight:

193.1761

MDL Number:

MFCD03265441

IUPAC Name:

3-methoxycarbonyl-4-methylbenzoic acid

InChI:

InChI=1S/C10H10O4/c1-6-3-4-7(9(11)12)5-8(6)10(13)14-2/h3-5H,1-2H3,(H,11,12)

InChI Key:

FLYZXCACBSFFHE-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc(ccc1C)C(=O)[O-]

Complexity:

236

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

194.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

194.186g/mol

Monoisotopic Mass:

194.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3