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141645-92-3 | 1,8-Naphthalenedicarboxylic acid, 4-amino-5-sulfo-
CAS No: 141645-92-3 Catalog No: AG001GU2 MDL No:
Product Description
Catalog Number:
AG001GU2
Chemical Name:
1,8-Naphthalenedicarboxylic acid, 4-amino-5-sulfo-
CAS Number:
141645-92-3
Molecular Formula:
C12H9NO7S
Molecular Weight:
311.2674
IUPAC Name:
4-amino-5-sulfonaphthalene-1,8-dicarboxylic acid
InChI:
InChI=1S/C12H9NO7S/c13-7-3-1-5(11(14)15)9-6(12(16)17)2-4-8(10(7)9)21(18,19)20/h1-4H,13H2,(H,14,15)(H,16,17)(H,18,19,20)
InChI Key:
CBGWXPRHASHBDR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c2c1c(ccc2N)C(=O)O)S(=O)(=O)O
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.01g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
311.264g/mol
Monoisotopic Mass:
311.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
163A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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