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833446-82-5 | 4(5H)-Benzoxazolone, 6,7-dihydro-2-(1Z)-1-propenyl-
CAS No: 833446-82-5 Catalog No: AG008I92 MDL No:
Product Description
Catalog Number:
AG008I92
Chemical Name:
4(5H)-Benzoxazolone, 6,7-dihydro-2-(1Z)-1-propenyl-
CAS Number:
833446-82-5
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
IUPAC Name:
2-prop-1-enyl-6,7-dihydro-5H-1,3-benzoxazol-4-one
InChI:
InChI=1S/C10H11NO2/c1-2-4-9-11-10-7(12)5-3-6-8(10)13-9/h2,4H,3,5-6H2,1H3
InChI Key:
IFBKODGEMHZPBP-UHFFFAOYSA-N
SMILES:
C/C=C\c1oc2c(n1)C(=O)CCC2
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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