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1023-91-2 | 1-Isobenzofuranol, 1,3-dihydro-3,3-dimethyl-1-phenyl-
CAS No: 1023-91-2 Catalog No: AG00075R MDL No:
Product Description
Catalog Number:
AG00075R
Chemical Name:
1-Isobenzofuranol, 1,3-dihydro-3,3-dimethyl-1-phenyl-
CAS Number:
1023-91-2
Molecular Formula:
C16H16O2
Molecular Weight:
240.2970
IUPAC Name:
3,3-dimethyl-1-phenyl-2-benzofuran-1-ol
InChI:
InChI=1S/C16H16O2/c1-15(2)13-10-6-7-11-14(13)16(17,18-15)12-8-4-3-5-9-12/h3-11,17H,1-2H3
InChI Key:
XNIDDCSFMRIISS-UHFFFAOYSA-N
SMILES:
OC1(OC(c2c1cccc2)(C)C)c1ccccc1
EC Number:
213-826-3
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.302g/mol
Monoisotopic Mass:
240.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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