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70735-87-4 | 6-(4-methylbenzoyl)-2,3-dihydro-1,3-benzoxazol-2-one
CAS No: 70735-87-4 Catalog No: AG019S2C MDL No:MFCD12541949
Product Description
Catalog Number:
AG019S2C
Chemical Name:
6-(4-methylbenzoyl)-2,3-dihydro-1,3-benzoxazol-2-one
CAS Number:
70735-87-4
Molecular Formula:
C15H11NO3
Molecular Weight:
253.2527
MDL Number:
MFCD12541949
IUPAC Name:
6-(4-methylbenzoyl)-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C15H11NO3/c1-9-2-4-10(5-3-9)14(17)11-6-7-12-13(8-11)19-15(18)16-12/h2-8H,1H3,(H,16,18)
InChI Key:
HFTFMOWTQYXGMC-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)c1ccc2c(c1)oc(=O)[nH]2
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.257g/mol
Monoisotopic Mass:
253.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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