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88235-11-4 | 2(3H)-Benzoxazolone, 3-(3-oxo-1-pentenyl)-
CAS No: 88235-11-4 Catalog No: AG004CX3 MDL No:
Product Description
Catalog Number:
AG004CX3
Chemical Name:
2(3H)-Benzoxazolone, 3-(3-oxo-1-pentenyl)-
CAS Number:
88235-11-4
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
3-(3-oxopent-1-enyl)-1,3-benzoxazol-2-one
InChI:
InChI=1S/C12H11NO3/c1-2-9(14)7-8-13-10-5-3-4-6-11(10)16-12(13)15/h3-8H,2H2,1H3
InChI Key:
UZDCEJYGKDQFMS-UHFFFAOYSA-N
SMILES:
CCC(=O)C=Cn1c(=O)oc2c1cccc2
Properties
Complexity:
324
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:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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