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88928-42-1 | Benzofuran, 4,5,6,7-tetrahydro-3-phenyl-
CAS No: 88928-42-1 Catalog No: AG0048VA MDL No:
Product Description
Catalog Number:
AG0048VA
Chemical Name:
Benzofuran, 4,5,6,7-tetrahydro-3-phenyl-
CAS Number:
88928-42-1
Molecular Formula:
C14H14O
Molecular Weight:
198.2604
IUPAC Name:
3-phenyl-4,5,6,7-tetrahydro-1-benzofuran
InChI:
InChI=1S/C14H14O/c1-2-6-11(7-3-1)13-10-15-14-9-5-4-8-12(13)14/h1-3,6-7,10H,4-5,8-9H2
InChI Key:
DEDVCHXHRANEEU-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1coc2c1CCCC2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.104g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.265g/mol
Monoisotopic Mass:
198.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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