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210892-16-3 | 1,2-Indolizinedicarboxylic acid, 3-cyano-7-methyl-, 1,2-dimethyl ester
CAS No: 210892-16-3 Catalog No: AG002L18 MDL No:
Product Description
Catalog Number:
AG002L18
Chemical Name:
1,2-Indolizinedicarboxylic acid, 3-cyano-7-methyl-, 1,2-dimethyl ester
CAS Number:
210892-16-3
Molecular Formula:
C14H12N2O4
Molecular Weight:
272.2561
IUPAC Name:
dimethyl 3-cyano-7-methylindolizine-1,2-dicarboxylate
InChI:
InChI=1S/C14H12N2O4/c1-8-4-5-16-9(6-8)11(13(17)19-2)12(10(16)7-15)14(18)20-3/h4-6H,1-3H3
InChI Key:
ZPNSIFFNMSCHNS-UHFFFAOYSA-N
SMILES:
COC(=O)c1c2cc(C)ccn2c(c1C(=O)OC)C#N
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.26g/mol
Monoisotopic Mass:
272.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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