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113660-57-4 | 2-Propenoic acid, 3-(1,2-dimethyl-1H-indol-3-yl)-, ethyl ester, (2E)-
CAS No: 113660-57-4 Catalog No: AG00098W MDL No:
Product Description
Catalog Number:
AG00098W
Chemical Name:
2-Propenoic acid, 3-(1,2-dimethyl-1H-indol-3-yl)-, ethyl ester, (2E)-
CAS Number:
113660-57-4
Molecular Formula:
C15H17NO2
Molecular Weight:
243.3010
IUPAC Name:
ethyl 3-(1,2-dimethylindol-3-yl)prop-2-enoate
InChI:
InChI=1S/C15H17NO2/c1-4-18-15(17)10-9-12-11(2)16(3)14-8-6-5-7-13(12)14/h5-10H,4H2,1-3H3
InChI Key:
PZXBIBPJNDWJSM-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C/c1c(C)n(c2c1cccc2)C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.306g/mol
Monoisotopic Mass:
243.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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