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833446-84-7 | 4(5H)-Benzoxazolone, 2-(1Z)-1-butenyl-6,7-dihydro-
CAS No: 833446-84-7 Catalog No: AG008I91 MDL No:
Product Description
Catalog Number:
AG008I91
Chemical Name:
4(5H)-Benzoxazolone, 2-(1Z)-1-butenyl-6,7-dihydro-
CAS Number:
833446-84-7
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
IUPAC Name:
2-but-1-enyl-6,7-dihydro-5H-1,3-benzoxazol-4-one
InChI:
InChI=1S/C11H13NO2/c1-2-3-7-10-12-11-8(13)5-4-6-9(11)14-10/h3,7H,2,4-6H2,1H3
InChI Key:
GFTGNLLCHQXYCG-UHFFFAOYSA-N
SMILES:
CC/C=C\c1oc2c(n1)C(=O)CCC2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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