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1225882-57-4 | 2-(5-cyclopropylisoxazol-3-yl)acetonitrile
CAS No: 1225882-57-4 Catalog No: AG01C7PZ MDL No:MFCD16300830
Product Description
Catalog Number:
AG01C7PZ
Chemical Name:
2-(5-cyclopropylisoxazol-3-yl)acetonitrile
CAS Number:
1225882-57-4
Molecular Formula:
C8H8N2O
Molecular Weight:
148.1619
MDL Number:
MFCD16300830
IUPAC Name:
2-(5-cyclopropyl-1,2-oxazol-3-yl)acetonitrile
InChI:
InChI=1S/C8H8N2O/c9-4-3-7-5-8(11-10-7)6-1-2-6/h5-6H,1-3H2
InChI Key:
ITZAIDIQTXXFDJ-UHFFFAOYSA-N
SMILES:
N#CCc1noc(c1)C1CC1
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.064g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.165g/mol
Monoisotopic Mass:
148.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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