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88221-10-7 | 2-Propenoic acid, 3-(1-methyl-1H-indol-3-yl)-, ethyl ester
CAS No: 88221-10-7 Catalog No: AG004D99 MDL No:
Product Description
Catalog Number:
AG004D99
Chemical Name:
2-Propenoic acid, 3-(1-methyl-1H-indol-3-yl)-, ethyl ester
CAS Number:
88221-10-7
Molecular Formula:
C14H15NO2
Molecular Weight:
229.2744
IUPAC Name:
ethyl 3-(1-methylindol-3-yl)prop-2-enoate
InChI:
InChI=1S/C14H15NO2/c1-3-17-14(16)9-8-11-10-15(2)13-7-5-4-6-12(11)13/h4-10H,3H2,1-2H3
InChI Key:
HJABZKVWSXXFAN-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=Cc1cn(c2c1cccc2)C
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:
2.6
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