Name: Name:1,2-Benzenedicarboxylic acid, 1-isononyl 2-(phenylmethyl) ester
Brand: Angene
SKU: AG000SB3
Rating: 90 (10 reviews)

1,2-Benzenedicarboxylic acid, 1-isononyl 2-(phenylmethyl) ester

CAS No.:

126198-74-1

Catalog Number:

AG000SB3

Molecular Formula:

C24H30O4

Molecular Weight:

382.4926

Catalog Number:

AG000SB3

Chemical Name:

1,2-Benzenedicarboxylic acid, 1-isononyl 2-(phenylmethyl) ester

CAS Number:

126198-74-1

Molecular Formula:

C24H30O4

Molecular Weight:

382.4926

MDL Number:

MFCD08276308

IUPAC Name:

2-O-benzyl 1-O-(7-methyloctyl) benzene-1,2-dicarboxylate

InChI:

InChI=1S/C24H30O4/c1-19(2)12-6-3-4-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-20-13-7-5-8-14-20/h5,7-10,13-16,19H,3-4,6,11-12,17-18H2,1-2H3

InChI Key:

IZTZLYGDXPHVQF-UHFFFAOYSA-N

SMILES:

CC(CCCCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1)C

Complexity:

454

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

382.214g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

382.5g/mol

Monoisotopic Mass:

382.214g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

7.3