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102271-77-2 | 2(3H)-Furanone, 3-([1,1'-biphenyl]-4-ylmethylene)dihydro-, (3E)-
CAS No: 102271-77-2 Catalog No: AG000731 MDL No:
Product Description
Catalog Number:
AG000731
Chemical Name:
2(3H)-Furanone, 3-([1,1'-biphenyl]-4-ylmethylene)dihydro-, (3E)-
CAS Number:
102271-77-2
Molecular Formula:
C17H14O2
Molecular Weight:
250.2919
IUPAC Name:
3-[(4-phenylphenyl)methylidene]oxolan-2-one
InChI:
InChI=1S/C17H14O2/c18-17-16(10-11-19-17)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,12H,10-11H2
InChI Key:
UHNHBUJCSZXEJS-UHFFFAOYSA-N
SMILES:
O=C1OCC/C/1=C\c1ccc(cc1)c1ccccc1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.099g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.297g/mol
Monoisotopic Mass:
250.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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