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1217862-28-6 | 3-isopropyl-5-isoxazolecarbonitrile
CAS No: 1217862-28-6 Catalog No: AG009DW1 MDL No:MFCD15146531
Product Description
Catalog Number:
AG009DW1
Chemical Name:
3-isopropyl-5-isoxazolecarbonitrile
CAS Number:
1217862-28-6
Molecular Formula:
C7H8N2O
Molecular Weight:
136.1512
MDL Number:
MFCD15146531
IUPAC Name:
3-propan-2-yl-1,2-oxazole-5-carbonitrile
InChI:
InChI=1S/C7H8N2O/c1-5(2)7-3-6(4-8)10-9-7/h3,5H,1-2H3
InChI Key:
CFWJELPCJZDRRO-UHFFFAOYSA-N
SMILES:
N#Cc1onc(c1)C(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:
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:
1.6
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