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898759-29-0 | 2-(4-METHYLVALERYL)OXAZOLE
CAS No: 898759-29-0 Catalog No: AG00GWGP MDL No:
Product Description
Catalog Number:
AG00GWGP
Chemical Name:
2-(4-METHYLVALERYL)OXAZOLE
CAS Number:
898759-29-0
IUPAC Name:
4-methyl-1-(1,3-oxazol-2-yl)pentan-1-one
InChI:
InChI=1S/C9H13NO2/c1-7(2)3-4-8(11)9-10-5-6-12-9/h5-7H,3-4H2,1-2H3
InChI Key:
NLBWULJUGUYPFQ-UHFFFAOYSA-N
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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