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700803-81-2 | Pyridine, 1-(cyanocarbonyl)-4-ethoxy-1,2,3,4-tetrahydro- (9CI)
CAS No: 700803-81-2 Catalog No: AG00FEYM MDL No:
Product Description
Catalog Number:
AG00FEYM
Chemical Name:
Pyridine, 1-(cyanocarbonyl)-4-ethoxy-1,2,3,4-tetrahydro- (9CI)
CAS Number:
700803-81-2
IUPAC Name:
4-ethoxy-3,4-dihydro-2H-pyridine-1-carbonyl cyanide
InChI:
InChI=1S/C9H12N2O2/c1-2-13-8-3-5-11(6-4-8)9(12)7-10/h3,5,8H,2,4,6H2,1H3
InChI Key:
DTVUDWXPGDMXDJ-UHFFFAOYSA-N
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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