2-[carboxymethyl-[(3,4-dihydroxy-9,10-dioxoanthracen-2-yl)methyl]amino]acetic acid

CAS: 3952-78-1

Molecular Formula	`C19H15NO8`
Molecular Weight	385.3 g/mol
LogP	-0.5
Topological Polar Surface Area	152.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	9
Rotatable Bonds	6
Exact Mass	385.07977
Heavy Atoms	28
Complexity	648.0

Chemical Identifiers

CAS Number	3952-78-1
SMILES	`C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C(=C3)CN(CC(=O)O)CC(=O)O)O)O`
InChIKey	`PWIGYBONXWGOQE-UHFFFAOYSA-N`

📖 Product Overview

2-[carboxymethyl-[(3,4-dihydroxy-9,10-dioxoanthracen-2-yl)methyl]amino]acetic acid (CAS: 3952-78-1) is a chemical compound with molecular formula C19H15NO8 and molecular weight 385.3 g/mol. Its IUPAC systematic name is 2-[carboxymethyl-[(3,4-dihydroxy-9,10-dioxoanthracen-2-yl)methyl]amino]acetic acid. LogP -0.5 Topological Polar Surface Area 152.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 9 Rotatable Bonds 6 Exact Mass 385.07977 Heavy Atoms 28 Complexity 648.0 InChI Key: PWIGYBONXWGOQE-UHFFFAOYSA-N. SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C(=C3)CN(CC(=O)O)CC(=O)O)O)O.

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