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114608-53-6 | 11H-Benzo[a]carbazole-3-carboxylic acid, 2-hydroxy-8-methoxy-
CAS No: 114608-53-6 Catalog No: AG000ETC MDL No:
Product Description
Catalog Number:
AG000ETC
Chemical Name:
11H-Benzo[a]carbazole-3-carboxylic acid, 2-hydroxy-8-methoxy-
CAS Number:
114608-53-6
Molecular Formula:
C18H13NO4
Molecular Weight:
307.3001
IUPAC Name:
2-hydroxy-8-methoxy-11H-benzo[a]carbazole-3-carboxylic acid
InChI:
InChI=1S/C18H13NO4/c1-23-10-3-5-15-13(7-10)11-4-2-9-6-14(18(21)22)16(20)8-12(9)17(11)19-15/h2-8,19-20H,1H3,(H,21,22)
InChI Key:
VMNRXIXDWHEYOB-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c1ccc3c(c1[nH]2)cc(c(c3)C(=O)O)O
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.084g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
307.305g/mol
Monoisotopic Mass:
307.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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