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82893-50-3 | 1(3H)-Isobenzofuranone, 3-(3,3,4-trimethyl-4-pentenylidene)-
CAS No: 82893-50-3 Catalog No: AG004VDZ MDL No:
Product Description
Catalog Number:
AG004VDZ
Chemical Name:
1(3H)-Isobenzofuranone, 3-(3,3,4-trimethyl-4-pentenylidene)-
CAS Number:
82893-50-3
Molecular Formula:
C16H18O2
Molecular Weight:
242.3129
IUPAC Name:
3-(3,3,4-trimethylpent-4-enylidene)-2-benzofuran-1-one
InChI:
InChI=1S/C16H18O2/c1-11(2)16(3,4)10-9-14-12-7-5-6-8-13(12)15(17)18-14/h5-9H,1,10H2,2-4H3
InChI Key:
HWCNSAANURAADK-UHFFFAOYSA-N
SMILES:
CC(=C)C(CC=C1OC(=O)c2c1cccc2)(C)C
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.318g/mol
Monoisotopic Mass:
242.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.7
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