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208772-46-7 | 1H-Indole-4-carboxylic acid, 3-formyl-
CAS No: 208772-46-7 Catalog No: AG002JVS MDL No:MFCD09864030
Product Description
Catalog Number:
AG002JVS
Chemical Name:
1H-Indole-4-carboxylic acid, 3-formyl-
CAS Number:
208772-46-7
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
MDL Number:
MFCD09864030
IUPAC Name:
3-formyl-1H-indole-4-carboxylic acid
InChI:
InChI=1S/C10H7NO3/c12-5-6-4-11-8-3-1-2-7(9(6)8)10(13)14/h1-5,11H,(H,13,14)
InChI Key:
GLURRHBQBOQINO-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1c(ccc2)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
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