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90297-53-3 | Phenol, 3,3'-(1,3-butadiene-1,4-diyl)bis-
CAS No: 90297-53-3 Catalog No: AG006G0P MDL No:
Product Description
Catalog Number:
AG006G0P
Chemical Name:
Phenol, 3,3'-(1,3-butadiene-1,4-diyl)bis-
CAS Number:
90297-53-3
Molecular Formula:
C16H14O2
Molecular Weight:
238.2812
IUPAC Name:
3-[4-(3-hydroxyphenyl)buta-1,3-dienyl]phenol
InChI:
InChI=1S/C16H14O2/c17-15-9-3-7-13(11-15)5-1-2-6-14-8-4-10-16(18)12-14/h1-12,17-18H
InChI Key:
RFVSQUPVIOPJJD-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)C=CC=Cc1cccc(c1)O
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.099g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.286g/mol
Monoisotopic Mass:
238.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.1
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