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29879-46-7 | 3-methyl-4-(propan-2-yl)-2,5-dihydro-1,2-oxazol-5-one
CAS No: 29879-46-7 Catalog No: AG01DWBD MDL No:MFCD10487545
Product Description
Catalog Number:
AG01DWBD
Chemical Name:
3-methyl-4-(propan-2-yl)-2,5-dihydro-1,2-oxazol-5-one
CAS Number:
29879-46-7
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
MDL Number:
MFCD10487545
IUPAC Name:
3-methyl-4-propan-2-yl-2H-1,2-oxazol-5-one
InChI:
InChI=1S/C7H11NO2/c1-4(2)6-5(3)8-10-7(6)9/h4,8H,1-3H3
InChI Key:
HBNVJFGCLQCKJO-UHFFFAOYSA-N
SMILES:
CC(c1c(C)[nH]oc1=O)C
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.17g/mol
Monoisotopic Mass:
141.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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