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17280-79-4 | 2(3H)-Benzoxazolone, 3-(1-oxo-2-propenyl)-
CAS No: 17280-79-4 Catalog No: AG007CF4 MDL No:
Product Description
Catalog Number:
AG007CF4
Chemical Name:
2(3H)-Benzoxazolone, 3-(1-oxo-2-propenyl)-
CAS Number:
17280-79-4
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
IUPAC Name:
3-prop-2-enoyl-1,3-benzoxazol-2-one
InChI:
InChI=1S/C10H7NO3/c1-2-9(12)11-7-5-3-4-6-8(7)14-10(11)13/h2-6H,1H2
InChI Key:
PTUSBBZLXOAAOH-UHFFFAOYSA-N
SMILES:
C=CC(=O)n1c(=O)oc2c1cccc2
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.17g/mol
Monoisotopic Mass:
189.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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