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113710-83-1 | Isobenzofuran, 1,3-dihydro-1,1,3,3-tetramethyl-
CAS No: 113710-83-1 Catalog No: AG0009EU MDL No:MFCD28364929
Product Description
Catalog Number:
AG0009EU
Chemical Name:
Isobenzofuran, 1,3-dihydro-1,1,3,3-tetramethyl-
CAS Number:
113710-83-1
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
MDL Number:
MFCD28364929
IUPAC Name:
1,1,3,3-tetramethyl-2-benzofuran
InChI:
InChI=1S/C12H16O/c1-11(2)9-7-5-6-8-10(9)12(3,4)13-11/h5-8H,1-4H3
InChI Key:
XVSVGIRMJVHKHM-UHFFFAOYSA-N
SMILES:
CC1(C)OC(c2c1cccc2)(C)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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