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88235-09-0 | 2(3H)-Benzoxazolone, 3-(3-oxo-1-hexenyl)-
CAS No: 88235-09-0 Catalog No: AG008B6H MDL No:
Product Description
Catalog Number:
AG008B6H
Chemical Name:
2(3H)-Benzoxazolone, 3-(3-oxo-1-hexenyl)-
CAS Number:
88235-09-0
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
IUPAC Name:
3-(3-oxohex-1-enyl)-1,3-benzoxazol-2-one
InChI:
InChI=1S/C13H13NO3/c1-2-5-10(15)8-9-14-11-6-3-4-7-12(11)17-13(14)16/h3-4,6-9H,2,5H2,1H3
InChI Key:
OPBDTDQAKGDRGG-UHFFFAOYSA-N
SMILES:
CCCC(=O)C=Cn1c(=O)oc2c1cccc2
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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