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89809-66-5 | Carbamic acid, dimethyl-, 2-cyano-3-pyridinyl ester
CAS No: 89809-66-5 Catalog No: AG003Y65 MDL No:
Product Description
Catalog Number:
AG003Y65
Chemical Name:
Carbamic acid, dimethyl-, 2-cyano-3-pyridinyl ester
CAS Number:
89809-66-5
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
IUPAC Name:
(2-cyanopyridin-3-yl) N,N-dimethylcarbamate
InChI:
InChI=1S/C9H9N3O2/c1-12(2)9(13)14-8-4-3-5-11-7(8)6-10/h3-5H,1-2H3
InChI Key:
ASMUHDOLKPYGNN-UHFFFAOYSA-N
SMILES:
CN(C(=O)Oc1cccnc1C#N)C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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