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85614-49-9 | 3(2H)-Benzofuranone,2-butyl-
CAS No: 85614-49-9 Catalog No: AG004Q7W MDL No:
Product Description
Catalog Number:
AG004Q7W
Chemical Name:
3(2H)-Benzofuranone,2-butyl-
CAS Number:
85614-49-9
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
IUPAC Name:
2-butyl-1-benzofuran-3-one
InChI:
InChI=1S/C12H14O2/c1-2-3-7-11-12(13)9-6-4-5-8-10(9)14-11/h4-6,8,11H,2-3,7H2,1H3
InChI Key:
UTHLRNLZDFHZFF-UHFFFAOYSA-N
SMILES:
CCCCC1Oc2c(C1=O)cccc2
EC Number:
287-936-5
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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