Name: Name:1,4-Benzenediacetic acid, 4-methyl ester
Brand: Angene
SKU: AG0025Y5
Rating: 90 (10 reviews)

1,4-Benzenediacetic acid, 4-methyl ester

CAS No.:

17833-56-6

Catalog Number:

AG0025Y5

Molecular Formula:

C11H12O4

Molecular Weight:

208.2106

Catalog Number:

AG0025Y5

Chemical Name:

1,4-Benzenediacetic acid, 4-methyl ester

CAS Number:

17833-56-6

Molecular Formula:

C11H12O4

Molecular Weight:

208.2106

MDL Number:

MFCD09925421

IUPAC Name:

2-[4-(2-methoxy-2-oxoethyl)phenyl]acetic acid

InChI:

InChI=1S/C11H12O4/c1-15-11(14)7-9-4-2-8(3-5-9)6-10(12)13/h2-5H,6-7H2,1H3,(H,12,13)

InChI Key:

MIHNILQBIBKVAX-UHFFFAOYSA-N

SMILES:

COC(=O)Cc1ccc(cc1)CC(=O)O

Complexity:

229

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

208.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

208.213g/mol

Monoisotopic Mass:

208.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3