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88089-29-6 | 2-Propenoic acid, 3-(1H-indol-4-yl)-, methyl ester
CAS No: 88089-29-6 Catalog No: AG004EKO MDL No:
Product Description
Catalog Number:
AG004EKO
Chemical Name:
2-Propenoic acid, 3-(1H-indol-4-yl)-, methyl ester
CAS Number:
88089-29-6
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
IUPAC Name:
methyl 3-(1H-indol-4-yl)prop-2-enoate
InChI:
InChI=1S/C12H11NO2/c1-15-12(14)6-5-9-3-2-4-11-10(9)7-8-13-11/h2-8,13H,1H3
InChI Key:
IDZVEPSCVVUHKV-UHFFFAOYSA-N
SMILES:
COC(=O)C=Cc1cccc2c1cc[nH]2
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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