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139197-51-6 | 2(3H)-Benzoxazolone, 6-(cyclopropylcarbonyl)-3-methyl-
CAS No: 139197-51-6 Catalog No: AG001AH7 MDL No:
Product Description
Catalog Number:
AG001AH7
Chemical Name:
2(3H)-Benzoxazolone, 6-(cyclopropylcarbonyl)-3-methyl-
CAS Number:
139197-51-6
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
6-(cyclopropanecarbonyl)-3-methyl-1,3-benzoxazol-2-one
InChI:
InChI=1S/C12H11NO3/c1-13-9-5-4-8(11(14)7-2-3-7)6-10(9)16-12(13)15/h4-7H,2-3H2,1H3
InChI Key:
FFAPMZSCANQFFH-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)oc(=O)n2C)C1CC1
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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