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114969-77-6 | 2-Pyrimidinecarbonitrile, 4,5-dimethyl-
CAS No: 114969-77-6 Catalog No: AG000FHM MDL No:MFCD18816661
Product Description
Catalog Number:
AG000FHM
Chemical Name:
2-Pyrimidinecarbonitrile, 4,5-dimethyl-
CAS Number:
114969-77-6
Molecular Formula:
C7H7N3
Molecular Weight:
133.1506
MDL Number:
MFCD18816661
IUPAC Name:
4,5-dimethylpyrimidine-2-carbonitrile
InChI:
InChI=1S/C7H7N3/c1-5-4-9-7(3-8)10-6(5)2/h4H,1-2H3
InChI Key:
HGZFCEVEXMOUOB-UHFFFAOYSA-N
SMILES:
N#Cc1ncc(c(n1)C)C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.064g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.154g/mol
Monoisotopic Mass:
133.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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