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912763-85-0 | 3-(3,5-dimethylisoxazol-4-yl)propanamide
CAS No: 912763-85-0 Catalog No: AG00JHMN MDL No:MFCD08741845
Product Description
Catalog Number:
AG00JHMN
Chemical Name:
3-(3,5-dimethylisoxazol-4-yl)propanamide
CAS Number:
912763-85-0
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD08741845
IUPAC Name:
3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
InChI:
InChI=1S/C8H12N2O2/c1-5-7(3-4-8(9)11)6(2)12-10-5/h3-4H2,1-2H3,(H2,9,11)
InChI Key:
LPZXCKTYOUCOQP-UHFFFAOYSA-N
SMILES:
NC(=O)CCc1c(C)noc1C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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