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88129-40-2 | 1H-Indole-2-carboxylic acid, 3-formyl-1-methyl-, methyl ester
CAS No: 88129-40-2 Catalog No: AG004HTA MDL No:
Product Description
Catalog Number:
AG004HTA
Chemical Name:
1H-Indole-2-carboxylic acid, 3-formyl-1-methyl-, methyl ester
CAS Number:
88129-40-2
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
methyl 3-formyl-1-methylindole-2-carboxylate
InChI:
InChI=1S/C12H11NO3/c1-13-10-6-4-3-5-8(10)9(7-14)11(13)12(15)16-2/h3-7H,1-2H3
InChI Key:
MAWKFBYSXNWFSD-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C=O)c2c(n1C)cccc2
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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