Name: Name:1,1,2-Pentanetricarboxylic acid, 4-methyl-, 1,1-bis(phenylmethyl) ester (9CI)
Brand: Angene
SKU: AG00ABMA
Rating: 90 (10 reviews)

1,1,2-Pentanetricarboxylic acid, 4-methyl-, 1,1-bis(phenylmethyl) ester (9CI)

CAS No.:

165172-57-6

Catalog Number:

AG00ABMA

Molecular Formula:

C23H26O6

Molecular Weight:

398.4489

Catalog Number:

AG00ABMA

Chemical Name:

1,1,2-Pentanetricarboxylic acid, 4-methyl-, 1,1-bis(phenylmethyl) ester (9CI)

CAS Number:

165172-57-6

Molecular Formula:

C23H26O6

Molecular Weight:

398.4489

MDL Number:

MFCD28385902

IUPAC Name:

2-[1,3-dioxo-1,3-bis(phenylmethoxy)propan-2-yl]-4-methylpentanoic acid

InChI:

InChI=1S/C23H26O6/c1-16(2)13-19(21(24)25)20(22(26)28-14-17-9-5-3-6-10-17)23(27)29-15-18-11-7-4-8-12-18/h3-12,16,19-20H,13-15H2,1-2H3,(H,24,25)

InChI Key:

NXIKOYYFZGXXFC-UHFFFAOYSA-N

SMILES:

CC(CC(C(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)O)C

Complexity:

498

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

398.173g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

398.455g/mol

Monoisotopic Mass:

398.173g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4