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10242-03-2 | 1H-Indole-3-carboxylic acid, 6-nitro-
CAS No: 10242-03-2 Catalog No: AG0007FK MDL No:MFCD07779489
Product Description
Catalog Number:
AG0007FK
Chemical Name:
1H-Indole-3-carboxylic acid, 6-nitro-
CAS Number:
10242-03-2
Molecular Formula:
C9H6N2O4
Molecular Weight:
206.1549
MDL Number:
MFCD07779489
IUPAC Name:
6-nitro-1H-indole-3-carboxylic acid
InChI:
InChI=1S/C9H6N2O4/c12-9(13)7-4-10-8-3-5(11(14)15)1-2-6(7)8/h1-4,10H,(H,12,13)
InChI Key:
MWFVAHOPRCFNCA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)[nH]cc2C(=O)O
NSC Number:
82382
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:
1.8
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