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144049-98-9 | 2-Cyclopenten-1-one, 2,3-bis(4-hydroxyphenyl)-
CAS No: 144049-98-9 Catalog No: AG001IUL MDL No:
Product Description
Catalog Number:
AG001IUL
Chemical Name:
2-Cyclopenten-1-one, 2,3-bis(4-hydroxyphenyl)-
CAS Number:
144049-98-9
Molecular Formula:
C17H14O3
Molecular Weight:
266.2913
IUPAC Name:
2,3-bis(4-hydroxyphenyl)cyclopent-2-en-1-one
InChI:
InChI=1S/C17H14O3/c18-13-5-1-11(2-6-13)15-9-10-16(20)17(15)12-3-7-14(19)8-4-12/h1-8,18-19H,9-10H2
InChI Key:
RPYRHIVTZFCGSO-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C1=C(CCC1=O)c1ccc(cc1)O
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.296g/mol
Monoisotopic Mass:
266.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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