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128352-98-7 | 3-Indolizinecarboxylic acid, 1-cyano-, ethyl ester
CAS No: 128352-98-7 Catalog No: AG000XZV MDL No:
Product Description
Catalog Number:
AG000XZV
Chemical Name:
3-Indolizinecarboxylic acid, 1-cyano-, ethyl ester
CAS Number:
128352-98-7
Molecular Formula:
C12H10N2O2
Molecular Weight:
214.2200
IUPAC Name:
ethyl 1-cyanoindolizine-3-carboxylate
InChI:
InChI=1S/C12H10N2O2/c1-2-16-12(15)11-7-9(8-13)10-5-3-4-6-14(10)11/h3-7H,2H2,1H3
InChI Key:
UDOULSMPLYHFJV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(c2n1cccc2)C#N
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.224g/mol
Monoisotopic Mass:
214.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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