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26384-70-3 | 1,2-Benzisoxazol-3(2H)-one, 2-(2-propen-1-yl)-
CAS No: 26384-70-3 Catalog No: AG002SYX MDL No:
Product Description
Catalog Number:
AG002SYX
Chemical Name:
1,2-Benzisoxazol-3(2H)-one, 2-(2-propen-1-yl)-
CAS Number:
26384-70-3
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
IUPAC Name:
2-prop-2-enyl-1,2-benzoxazol-3-one
InChI:
InChI=1S/C10H9NO2/c1-2-7-11-10(12)8-5-3-4-6-9(8)13-11/h2-6H,1,7H2
InChI Key:
YYAZXDJKPLDYTH-UHFFFAOYSA-N
SMILES:
C=CCn1oc2c(c1=O)cccc2
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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