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87923-19-1 | 1-Isobenzofuranol, 1,3,3a,4,7,7a-hexahydro-3,7a-dimethyl-1-phenyl-
CAS No: 87923-19-1 Catalog No: AG004DNX MDL No:
Product Description
Catalog Number:
AG004DNX
Chemical Name:
1-Isobenzofuranol, 1,3,3a,4,7,7a-hexahydro-3,7a-dimethyl-1-phenyl-
CAS Number:
87923-19-1
Molecular Formula:
C16H20O2
Molecular Weight:
244.3288
IUPAC Name:
3,7a-dimethyl-1-phenyl-3,3a,4,7-tetrahydro-2-benzofuran-1-ol
InChI:
InChI=1S/C16H20O2/c1-12-14-10-6-7-11-15(14,2)16(17,18-12)13-8-4-3-5-9-13/h3-9,12,14,17H,10-11H2,1-2H3
InChI Key:
JGUDSVQOSIRXCT-UHFFFAOYSA-N
SMILES:
CC1OC(C2(C1CC=CC2)C)(O)c1ccccc1
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.146g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.334g/mol
Monoisotopic Mass:
244.146g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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