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833446-86-9 | 4(5H)-Benzoxazolone, 2-(1Z)-1-butenyl-6,7-dihydro-6,6-dimethyl-
CAS No: 833446-86-9 Catalog No: AG0055SU MDL No:
Product Description
Catalog Number:
AG0055SU
Chemical Name:
4(5H)-Benzoxazolone, 2-(1Z)-1-butenyl-6,7-dihydro-6,6-dimethyl-
CAS Number:
833446-86-9
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
IUPAC Name:
2-but-1-enyl-6,6-dimethyl-5,7-dihydro-1,3-benzoxazol-4-one
InChI:
InChI=1S/C13H17NO2/c1-4-5-6-11-14-12-9(15)7-13(2,3)8-10(12)16-11/h5-6H,4,7-8H2,1-3H3
InChI Key:
ILCLKKHIQPWPAG-UHFFFAOYSA-N
SMILES:
CC/C=C\c1oc2c(n1)C(=O)CC(C2)(C)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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