Home Carboxys 7-methyl-6-nitro-1H-indole-2-carboxylic acid

7-methyl-6-nitro-1H-indole-2-carboxylic acid

CAS No.:
2060028-44-4
Catalog Number:
AG01BQ3A
Molecular Formula:
C10H8N2O4
Molecular Weight:
220.1815
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Product Description
Catalog Number:
AG01BQ3A
Chemical Name:
7-methyl-6-nitro-1H-indole-2-carboxylic acid
CAS Number:
2060028-44-4
Molecular Formula:
C10H8N2O4
Molecular Weight:
220.1815
MDL Number:
MFCD30500944
IUPAC Name:
7-methyl-6-nitro-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C10H8N2O4/c1-5-8(12(15)16)3-2-6-4-7(10(13)14)11-9(5)6/h2-4,11H,1H3,(H,13,14)
InChI Key:
JCZDDNBVRSANQY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1C)[nH]c(c2)C(=O)O
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.048g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
220.184g/mol
Monoisotopic Mass:
220.048g/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  
Properties