Home Carboxys 5-Nitro-1H-indole-3-carboxylic acid

5-Nitro-1H-indole-3-carboxylic acid

CAS No.:
6958-37-8
Catalog Number:
AG005WEI
Molecular Formula:
C9H6N2O4
Molecular Weight:
206.1549
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Product Description
Catalog Number:
AG005WEI
Chemical Name:
5-Nitro-1H-indole-3-carboxylic acid
CAS Number:
6958-37-8
Molecular Formula:
C9H6N2O4
Molecular Weight:
206.1549
MDL Number:
MFCD06203492
IUPAC Name:
5-nitro-1H-indole-3-carboxylic acid
InChI:
InChI=1S/C9H6N2O4/c12-9(13)7-4-10-8-2-1-5(11(14)15)3-6(7)8/h1-4,10H,(H,12,13)
InChI Key:
OOOJXNVTVWRZMA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(c[nH]2)C(=O)O
NSC Number:
64699
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  
Properties