Home Carboxys 1H-Indole-5-carboxylic acid, 3-formyl-

1H-Indole-5-carboxylic acid, 3-formyl-

CAS No.:
148563-41-1
Catalog Number:
AG001L0A
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
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Product Description
Catalog Number:
AG001L0A
Chemical Name:
1H-Indole-5-carboxylic acid, 3-formyl-
CAS Number:
148563-41-1
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
MDL Number:
MFCD06656876
IUPAC Name:
3-formyl-1H-indole-5-carboxylic acid
InChI:
InChI=1S/C10H7NO3/c12-5-7-4-11-9-2-1-6(10(13)14)3-8(7)9/h1-5,11H,(H,13,14)
InChI Key:
TUXSUQLMUWDUDS-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1cc(cc2)C(=O)O
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.043g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
189.17g/mol
Monoisotopic Mass:
189.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties