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1000564-45-3 | 2-(Pyrimidin-2-yl)acetonitrile
CAS No: 1000564-45-3 Catalog No: AG0000QC MDL No:MFCD09923687
Product Description
Catalog Number:
AG0000QC
Chemical Name:
2-(Pyrimidin-2-yl)acetonitrile
CAS Number:
1000564-45-3
Molecular Formula:
C6H5N3
Molecular Weight:
119.1240
MDL Number:
MFCD09923687
IUPAC Name:
2-pyrimidin-5-ylacetonitrile
InChI:
InChI=1S/C6H5N3/c7-2-1-6-3-8-5-9-4-6/h3-5H,1H2
InChI Key:
WBXNRDHUHUWTDU-UHFFFAOYSA-N
SMILES:
N#CCc1cncnc1
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
119.127g/mol
Monoisotopic Mass:
119.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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