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1167056-38-3 | 1H-Indole-7-carboxylic acid, 5-nitro-
CAS No: 1167056-38-3 Catalog No: AG000D34 MDL No:
Product Description
Catalog Number:
AG000D34
Chemical Name:
1H-Indole-7-carboxylic acid, 5-nitro-
CAS Number:
1167056-38-3
Molecular Formula:
C9H6N2O4
Molecular Weight:
206.1549
IUPAC Name:
5-nitro-1H-indole-7-carboxylic acid
InChI:
InChI=1S/C9H6N2O4/c12-9(13)7-4-6(11(14)15)3-5-1-2-10-8(5)7/h1-4,10H,(H,12,13)
InChI Key:
WDKDONAAPBDYMD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2cc[nH]c2c(c1)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:
1.4
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