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86954-89-4 | 1(3H)-Isobenzofuranone, 3-ethyl-3-methyl-
CAS No: 86954-89-4 Catalog No: AG004HLW MDL No:
Product Description
Catalog Number:
AG004HLW
Chemical Name:
1(3H)-Isobenzofuranone, 3-ethyl-3-methyl-
CAS Number:
86954-89-4
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
IUPAC Name:
3-ethyl-3-methyl-2-benzofuran-1-one
InChI:
InChI=1S/C11H12O2/c1-3-11(2)9-7-5-4-6-8(9)10(12)13-11/h4-7H,3H2,1-2H3
InChI Key:
RUQKXIFMFMUZHH-UHFFFAOYSA-N
SMILES:
CCC1(C)OC(=O)c2c1cccc2
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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