SCHEMBL8680647

2-[(4-methoxy-4-oxobut-2-en-2-yl)amino]-2-phenylacetic acid

CAS: 733690-75-0

Molecular Formula	`C13H15NO4`
Molecular Weight	249.26 g/mol
LogP	2.6
Topological Polar Surface Area	75.6 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	249.10011
Heavy Atoms	18
Complexity	332.0

Chemical Identifiers

CAS Number	733690-75-0
SMILES	`CC(=CC(=O)OC)NC(C1=CC=CC=C1)C(=O)O`
InChIKey	`FMONNRDZPPUEOZ-UHFFFAOYSA-N`

📖 Product Overview

SCHEMBL8680647 (CAS: 733690-75-0) is a chemical compound with molecular formula C13H15NO4 and molecular weight 249.26 g/mol. Its IUPAC systematic name is 2-[(4-methoxy-4-oxobut-2-en-2-yl)amino]-2-phenylacetic acid. LogP 2.6 Topological Polar Surface Area 75.6 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 6 Exact Mass 249.10011 Heavy Atoms 18 Complexity 332.0 InChI Key: FMONNRDZPPUEOZ-UHFFFAOYSA-N. SMILES: CC(=CC(=O)OC)NC(C1=CC=CC=C1)C(=O)O.

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