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10242-00-9 | 1H-Indole-2-carboxylic acid, 6-nitro-
CAS No: 10242-00-9 Catalog No: AG0007EW MDL No:MFCD02664466
Product Description
Catalog Number:
AG0007EW
Chemical Name:
1H-Indole-2-carboxylic acid, 6-nitro-
CAS Number:
10242-00-9
Molecular Formula:
C9H6N2O4
Molecular Weight:
206.1549
MDL Number:
MFCD02664466
IUPAC Name:
6-nitro-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C9H6N2O4/c12-9(13)8-3-5-1-2-6(11(14)15)4-7(5)10-8/h1-4,10H,(H,12,13)
InChI Key:
JIXJNWVLWQQNDB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)[nH]c(c2)C(=O)O
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.033g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.157g/mol
Monoisotopic Mass:
206.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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