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89374-69-6 | 2-Propenoic acid, 3-(1-methyl-1H-indol-2-yl)-, ethyl ester, (E)-
CAS No: 89374-69-6 Catalog No: AG003WG3 MDL No:
Product Description
Catalog Number:
AG003WG3
Chemical Name:
2-Propenoic acid, 3-(1-methyl-1H-indol-2-yl)-, ethyl ester, (E)-
CAS Number:
89374-69-6
Molecular Formula:
C14H15NO2
Molecular Weight:
229.2744
IUPAC Name:
ethyl 3-(1-methylindol-2-yl)prop-2-enoate
InChI:
InChI=1S/C14H15NO2/c1-3-17-14(16)9-8-12-10-11-6-4-5-7-13(11)15(12)2/h4-10H,3H2,1-2H3
InChI Key:
BKBMKCADKPHWLV-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C/c1cc2c(n1C)cccc2
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.279g/mol
Monoisotopic Mass:
229.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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