Name: Name:1,4-Benzenedicarboxylic acid, mono(4-hydroxybutyl) ester
Brand: Angene
SKU: AG00IKEC
Rating: 90 (10 reviews)

1,4-Benzenedicarboxylic acid, mono(4-hydroxybutyl) ester

CAS No.:

63317-89-5

Catalog Number:

AG00IKEC

Molecular Formula:

C12H13O5-

Molecular Weight:

237.2286

Catalog Number:

AG00IKEC

Chemical Name:

1,4-Benzenedicarboxylic acid, mono(4-hydroxybutyl) ester

CAS Number:

63317-89-5

Molecular Formula:

C12H13O5-

Molecular Weight:

237.2286

MDL Number:

MFCD20259705

IUPAC Name:

4-(4-hydroxybutoxycarbonyl)benzoate

InChI:

InChI=1S/C12H14O5/c13-7-1-2-8-17-12(16)10-5-3-9(4-6-10)11(14)15/h3-6,13H,1-2,7-8H2,(H,14,15)/p-1

InChI Key:

QOBMQTZOKFYGNH-UHFFFAOYSA-M

SMILES:

OCCCCOC(=O)c1ccc(cc1)C(=O)[O-]

Complexity:

250

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

237.076g/mol

Formal Charge:

-1

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

237.231g/mol

Monoisotopic Mass:

237.076g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9