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116353-24-3 | 5H-Benzo[b]carbazole-2-carboxylic acid, 3-hydroxy-, sodium salt (1:1)
CAS No: 116353-24-3 Catalog No: AG000C9D MDL No:
Product Description
Catalog Number:
AG000C9D
Chemical Name:
5H-Benzo[b]carbazole-2-carboxylic acid, 3-hydroxy-, sodium salt (1:1)
CAS Number:
116353-24-3
Molecular Formula:
C17H10NNaO3
Molecular Weight:
299.2560
IUPAC Name:
sodium;2-hydroxy-11H-benzo[a]carbazole-3-carboxylate
InChI:
InChI=1S/C17H11NO3.Na/c19-15-8-12-9(7-13(15)17(20)21)5-6-11-10-3-1-2-4-14(10)18-16(11)12;/h1-8,18-19H,(H,20,21);/q;+1/p-1
InChI Key:
BQXPRKCURGJKAI-UHFFFAOYSA-M
SMILES:
[O-]C(=O)c1cc2c(cc1O)[nH]c1c2cc2ccccc2c1.[Na+]
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.056g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.261g/mol
Monoisotopic Mass:
299.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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