Home Carboxys 1H-Indole-2,3-dicarboxylic acid

1H-Indole-2,3-dicarboxylic acid

CAS No.:
103030-09-7
Catalog Number:
AG00865P
Molecular Formula:
C10H7NO4
Molecular Weight:
205.1669
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Product Description
Catalog Number:
AG00865P
Chemical Name:
1H-Indole-2,3-dicarboxylic acid
CAS Number:
103030-09-7
Molecular Formula:
C10H7NO4
Molecular Weight:
205.1669
MDL Number:
MFCD00159856
IUPAC Name:
1H-indole-2,3-dicarboxylic acid
InChI:
InChI=1S/C10H7NO4/c12-9(13)7-5-3-1-2-4-6(5)11-8(7)10(14)15/h1-4,11H,(H,12,13)(H,14,15)
InChI Key:
MBNROFBGTNXXMX-UHFFFAOYSA-N
SMILES:
OC(=O)c1c([nH]c2c1cccc2)C(=O)O
Properties
Complexity:
291  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.038g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
205.169g/mol
Monoisotopic Mass:
205.038g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties