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1251830-57-5 | 6-Hepten-3-one, 1,7-bis(4-hydroxyphenyl)-, (6E)-
CAS No: 1251830-57-5 Catalog No: AG000NB5 MDL No:
Product Description
Catalog Number:
AG000NB5
Chemical Name:
6-Hepten-3-one, 1,7-bis(4-hydroxyphenyl)-, (6E)-
CAS Number:
1251830-57-5
Molecular Formula:
C19H20O3
Molecular Weight:
296.3603
IUPAC Name:
(E)-1,7-bis(4-hydroxyphenyl)hept-6-en-3-one
InChI:
InChI=1S/C19H20O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1,3,5-6,8-9,11-14,21-22H,2,4,7,10H2/b3-1+
InChI Key:
PDFRZPRYDQDKCQ-HNQUOIGGSA-N
SMILES:
O=C(CCc1ccc(cc1)O)CC/C=C/c1ccc(cc1)O
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
296.141g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.366g/mol
Monoisotopic Mass:
296.141g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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