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35166-42-8 | 2-(dimethyl-1,2-oxazol-4-yl)acetonitrile
CAS No: 35166-42-8 Catalog No: AG01BHHH MDL No:MFCD08701345
Product Description
Catalog Number:
AG01BHHH
Chemical Name:
2-(dimethyl-1,2-oxazol-4-yl)acetonitrile
CAS Number:
35166-42-8
Molecular Formula:
C7H8N2O
Molecular Weight:
136.1512
MDL Number:
MFCD08701345
IUPAC Name:
2-(3,5-dimethyl-1,2-oxazol-4-yl)acetonitrile
InChI:
InChI=1S/C7H8N2O/c1-5-7(3-4-8)6(2)10-9-5/h3H2,1-2H3
InChI Key:
UMCQYZGFGHGVTG-UHFFFAOYSA-N
SMILES:
N#CCc1c(C)noc1C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.064g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.154g/mol
Monoisotopic Mass:
136.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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