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66314-19-0

66314-19-0 | 2-Propenoic acid, 3-(1-methyl-1H-indol-2-yl)-, methyl ester

CAS No: 66314-19-0 Catalog No: AG006NJ7 MDL No:

Product Description

Catalog Number:
AG006NJ7
Chemical Name:
2-Propenoic acid, 3-(1-methyl-1H-indol-2-yl)-, methyl ester
CAS Number:
66314-19-0
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
IUPAC Name:
methyl 3-(1-methylindol-2-yl)prop-2-enoate
InChI:
InChI=1S/C13H13NO2/c1-14-11(7-8-13(15)16-2)9-10-5-3-4-6-12(10)14/h3-9H,1-2H3
InChI Key:
GLEGQDXTVQWNAM-UHFFFAOYSA-N
SMILES:
COC(=O)C=Cc1cc2c(n1C)cccc2

Properties

Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.7  

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