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898759-26-7 | 2-(3-METHYLVALERYL)OXAZOLE
CAS No: 898759-26-7 Catalog No: AG00GW5W MDL No:
Product Description
Catalog Number:
AG00GW5W
Chemical Name:
2-(3-METHYLVALERYL)OXAZOLE
CAS Number:
898759-26-7
IUPAC Name:
3-methyl-1-(1,3-oxazol-2-yl)pentan-1-one
InChI:
InChI=1S/C9H13NO2/c1-3-7(2)6-8(11)9-10-4-5-12-9/h4-5,7H,3,6H2,1-2H3
InChI Key:
HHKDXGFCXBZJTN-UHFFFAOYSA-N
Properties
Complexity:
159
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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