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89645-37-4 | 2-Propenoic acid, 3-[2-(acetyloxy)-3-indolizinyl]-2-cyano-, ethyl ester
CAS No: 89645-37-4 Catalog No: AG003VKH MDL No:
Product Description
Catalog Number:
AG003VKH
Chemical Name:
2-Propenoic acid, 3-[2-(acetyloxy)-3-indolizinyl]-2-cyano-, ethyl ester
CAS Number:
89645-37-4
Molecular Formula:
C16H14N2O4
Molecular Weight:
298.2934
IUPAC Name:
ethyl 3-(2-acetyloxyindolizin-3-yl)-2-cyanoprop-2-enoate
InChI:
InChI=1S/C16H14N2O4/c1-3-21-16(20)12(10-17)8-14-15(22-11(2)19)9-13-6-4-5-7-18(13)14/h4-9H,3H2,1-2H3
InChI Key:
YVNMAMVRSRWDIM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=Cc1c(OC(=O)C)cc2n1cccc2)C#N
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.095g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.298g/mol
Monoisotopic Mass:
298.095g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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