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87894-54-0 | 2-Propenoic acid, 3-(1-acetyl-3-methyl-1H-indol-2-yl)-, ethyl ester, (2E)-
CAS No: 87894-54-0 Catalog No: AG004E3P MDL No:
Product Description
Catalog Number:
AG004E3P
Chemical Name:
2-Propenoic acid, 3-(1-acetyl-3-methyl-1H-indol-2-yl)-, ethyl ester, (2E)-
CAS Number:
87894-54-0
Molecular Formula:
C16H17NO3
Molecular Weight:
271.3111
IUPAC Name:
ethyl 3-(1-acetyl-3-methylindol-2-yl)prop-2-enoate
InChI:
InChI=1S/C16H17NO3/c1-4-20-16(19)10-9-14-11(2)13-7-5-6-8-15(13)17(14)12(3)18/h5-10H,4H2,1-3H3
InChI Key:
VAQDWPXVPLJXJA-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C/c1c(C)c2c(n1C(=O)C)cccc2
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.316g/mol
Monoisotopic Mass:
271.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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