2-(benzo[a]anthracen-7-ylcarbamoylamino)acetic acid

CAS: 63018-50-8

Molecular Formula	`C21H16N2O3`
Molecular Weight	344.4 g/mol
LogP	4.3
Topological Polar Surface Area	78.4 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	3
Rotatable Bonds	3
Exact Mass	344.1161
Heavy Atoms	26
Complexity	537.0

Chemical Identifiers

CAS Number	63018-50-8
SMILES	`C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)NC(=O)NCC(=O)O`
InChIKey	`PBVDJFTXCDEOGQ-UHFFFAOYSA-N`

📖 Product Overview

2-(benzo[a]anthracen-7-ylcarbamoylamino)acetic acid (CAS: 63018-50-8) is a chemical compound with molecular formula C21H16N2O3 and molecular weight 344.4 g/mol. Its IUPAC systematic name is 2-(benzo[a]anthracen-7-ylcarbamoylamino)acetic acid. LogP 4.3 Topological Polar Surface Area 78.4 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 3 Rotatable Bonds 3 Exact Mass 344.1161 Heavy Atoms 26 Complexity 537.0 InChI Key: PBVDJFTXCDEOGQ-UHFFFAOYSA-N. SMILES: C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)NC(=O)NCC(=O)O.

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