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138689-10-8 | 1,3-Benzenediol, 4-[1,1-bis(4-hydroxyphenyl)ethyl]-
CAS No: 138689-10-8 Catalog No: AG001908 MDL No:
Product Description
Catalog Number:
AG001908
Chemical Name:
1,3-Benzenediol, 4-[1,1-bis(4-hydroxyphenyl)ethyl]-
CAS Number:
138689-10-8
Molecular Formula:
C20H18O4
Molecular Weight:
322.3545
IUPAC Name:
4-[1,1-bis(4-hydroxyphenyl)ethyl]benzene-1,3-diol
InChI:
InChI=1S/C20H18O4/c1-20(13-2-6-15(21)7-3-13,14-4-8-16(22)9-5-14)18-11-10-17(23)12-19(18)24/h2-12,21-24H,1H3
InChI Key:
WMVAHPLEKJYUGK-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C(c1ccc(cc1O)O)(c1ccc(cc1)O)C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.121g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
322.36g/mol
Monoisotopic Mass:
322.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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