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Home > Pyridines > 231958-33-1
231958-33-1 | Cyanic acid, 3-pyridinylmethyl ester
CAS No: 231958-33-1 Catalog No: AG002MH1 MDL No:
Product Description
Catalog Number:
AG002MH1
Chemical Name:
Cyanic acid, 3-pyridinylmethyl ester
CAS Number:
231958-33-1
Molecular Formula:
C7H6N2O
Molecular Weight:
134.1353
IUPAC Name:
pyridin-3-ylmethyl cyanate
InChI:
InChI=1S/C7H6N2O/c8-6-10-5-7-2-1-3-9-4-7/h1-4H,5H2
InChI Key:
FQTASAVEFVFJLR-UHFFFAOYSA-N
SMILES:
N#COCc1cccnc1
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.138g/mol
Monoisotopic Mass:
134.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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