4,4'-methylenebis[3-hydroxy-2-naphthoic] acid, compound with 1,1-dimethylbiguanide (1:2)

4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;bis(3-(diaminomethylidene)-1,1-dimethylguanidine)

CAS: 34461-22-8

Molecular Formula	`C31H38N10O6`
Molecular Weight	646.7 g/mol
Topological Polar Surface Area	298.0 A2
Hydrogen Bond Donors	10
Hydrogen Bond Acceptors	8
Rotatable Bonds	8
Exact Mass	646.2976
Heavy Atoms	47
Complexity	700.0

Chemical Identifiers

CAS Number	34461-22-8
SMILES	`CN(C)C(=N)N=C(N)N.CN(C)C(=N)N=C(N)N.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O`
InChIKey	`ORKWMXWNOBMAJB-UHFFFAOYSA-N`

📖 Product Overview

4,4'-methylenebis[3-hydroxy-2-naphthoic] acid, compound with 1,1-dimethylbiguanide (1:2) (CAS: 34461-22-8) is a chemical compound with molecular formula C31H38N10O6 and molecular weight 646.7 g/mol. Its IUPAC systematic name is 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;bis(3-(diaminomethylidene)-1,1-dimethylguanidine). Topological Polar Surface Area 298.0 A2 Hydrogen Bond Donors 10 Hydrogen Bond Acceptors 8 Rotatable Bonds 8 Exact Mass 646.2976 Heavy Atoms 47 Complexity 700.0 InChI Key: ORKWMXWNOBMAJB-UHFFFAOYSA-N. SMILES: CN(C)C(=N)N=C(N)N.CN(C)C(=N)N=C(N)N.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O.

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