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136830-63-2 | 4(2H)-Benzofuranone, 7,7a-dihydro-3,7,7-trimethyl-
CAS No: 136830-63-2 Catalog No: AG0012FP MDL No:
Product Description
Catalog Number:
AG0012FP
Chemical Name:
4(2H)-Benzofuranone, 7,7a-dihydro-3,7,7-trimethyl-
CAS Number:
136830-63-2
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
3,7,7-trimethyl-2,7a-dihydro-1-benzofuran-4-one
InChI:
InChI=1S/C11H14O2/c1-7-6-13-10-9(7)8(12)4-5-11(10,2)3/h4-5,10H,6H2,1-3H3
InChI Key:
XTYJDUKPOCZQNR-UHFFFAOYSA-N
SMILES:
CC1=C2C(=O)C=CC(C2OC1)(C)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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