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179038-74-5 | 9H-Carbazole-3-carboxylic acid, 9-(phenylmethyl)-
CAS No: 179038-74-5 Catalog No: AG0026QA MDL No:
Product Description
Catalog Number:
AG0026QA
Chemical Name:
9H-Carbazole-3-carboxylic acid, 9-(phenylmethyl)-
CAS Number:
179038-74-5
Molecular Formula:
C20H15NO2
Molecular Weight:
301.3386
IUPAC Name:
9-benzylcarbazole-3-carboxylic acid
InChI:
InChI=1S/C20H15NO2/c22-20(23)15-10-11-19-17(12-15)16-8-4-5-9-18(16)21(19)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,22,23)
InChI Key:
GKXUSSZXCAMJNF-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)c1ccccc1n2Cc1ccccc1
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.11g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.345g/mol
Monoisotopic Mass:
301.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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