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1935329-79-5 | 2-(5-tert-butyl-1,2-oxazol-3-yl)acetonitrile
CAS No: 1935329-79-5 Catalog No: AG00O592 MDL No:MFCD28552339
Product Description
Catalog Number:
AG00O592
Chemical Name:
2-(5-tert-butyl-1,2-oxazol-3-yl)acetonitrile
CAS Number:
1935329-79-5
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
MDL Number:
MFCD28552339
IUPAC Name:
2-(5-tert-butyl-1,2-oxazol-3-yl)acetonitrile
InChI:
InChI=1S/C9H12N2O/c1-9(2,3)8-6-7(4-5-10)11-12-8/h6H,4H2,1-3H3
InChI Key:
JHVQFBBIEDRQRR-UHFFFAOYSA-N
SMILES:
N#CCc1noc(c1)C(C)(C)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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