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90965-68-7 | 1(3H)-Isobenzofuranone, 3-pentylidene-
CAS No: 90965-68-7 Catalog No: AG006G9R MDL No:
Product Description
Catalog Number:
AG006G9R
Chemical Name:
1(3H)-Isobenzofuranone, 3-pentylidene-
CAS Number:
90965-68-7
Molecular Formula:
C13H14O2
Molecular Weight:
202.2491
IUPAC Name:
3-pentylidene-2-benzofuran-1-one
InChI:
InChI=1S/C13H14O2/c1-2-3-4-9-12-10-7-5-6-8-11(10)13(14)15-12/h5-9H,2-4H2,1H3
InChI Key:
UYKZUWVXNVHOGQ-UHFFFAOYSA-N
SMILES:
CCCCC=C1OC(=O)c2c1cccc2
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.099g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.253g/mol
Monoisotopic Mass:
202.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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