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88777-53-1 | Carbonic acid, cyano-2-pyridinylmethyl ethyl ester
CAS No: 88777-53-1 Catalog No: AG004B2B MDL No:
Product Description
Catalog Number:
AG004B2B
Chemical Name:
Carbonic acid, cyano-2-pyridinylmethyl ethyl ester
CAS Number:
88777-53-1
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
IUPAC Name:
[cyano(pyridin-2-yl)methyl] ethyl carbonate
InChI:
InChI=1S/C10H10N2O3/c1-2-14-10(13)15-9(7-11)8-5-3-4-6-12-8/h3-6,9H,2H2,1H3
InChI Key:
JTLGCHQPKBXGDD-UHFFFAOYSA-N
SMILES:
CCOC(=O)OC(c1ccccn1)C#N
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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