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88235-07-8 | 2(3H)-Benzoxazolone, 3-(3-oxo-1-heptenyl)-
CAS No: 88235-07-8 Catalog No: AG008B6J MDL No:
Product Description
Catalog Number:
AG008B6J
Chemical Name:
2(3H)-Benzoxazolone, 3-(3-oxo-1-heptenyl)-
CAS Number:
88235-07-8
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
IUPAC Name:
3-(3-oxohept-1-enyl)-1,3-benzoxazol-2-one
InChI:
InChI=1S/C14H15NO3/c1-2-3-6-11(16)9-10-15-12-7-4-5-8-13(12)18-14(15)17/h4-5,7-10H,2-3,6H2,1H3
InChI Key:
MOIBQWQAZCWUJH-UHFFFAOYSA-N
SMILES:
CCCCC(=O)C=Cn1c(=O)oc2c1cccc2
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.278g/mol
Monoisotopic Mass:
245.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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