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144425-90-1 | 1,3-Benzenediol, 4,4'-(1-methylpropylidene)bis-
CAS No: 144425-90-1 Catalog No: AG001JIP MDL No:
Product Description
Catalog Number:
AG001JIP
Chemical Name:
1,3-Benzenediol, 4,4'-(1-methylpropylidene)bis-
CAS Number:
144425-90-1
Molecular Formula:
C16H18O4
Molecular Weight:
274.3117
IUPAC Name:
4-[2-(2,4-dihydroxyphenyl)butan-2-yl]benzene-1,3-diol
InChI:
InChI=1S/C16H18O4/c1-3-16(2,12-6-4-10(17)8-14(12)19)13-7-5-11(18)9-15(13)20/h4-9,17-20H,3H2,1-2H3
InChI Key:
OGTNCEBHEZGNNL-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1O)O)(c1ccc(cc1O)O)C
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
274.316g/mol
Monoisotopic Mass:
274.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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