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119189-33-2 | 1,2-Benzenediol, 4-[4-(2,5-dihydroxyphenyl)butyl]-
CAS No: 119189-33-2 Catalog No: AG000P63 MDL No:
Product Description
Catalog Number:
AG000P63
Chemical Name:
1,2-Benzenediol, 4-[4-(2,5-dihydroxyphenyl)butyl]-
CAS Number:
119189-33-2
Molecular Formula:
C16H18O4
Molecular Weight:
274.3117
IUPAC Name:
4-[4-(2,5-dihydroxyphenyl)butyl]benzene-1,2-diol
InChI:
InChI=1S/C16H18O4/c17-13-6-8-14(18)12(10-13)4-2-1-3-11-5-7-15(19)16(20)9-11/h5-10,17-20H,1-4H2
InChI Key:
CFYCDPJGGRQIRO-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)CCCCc1ccc(c(c1)O)O)O
Properties
Complexity:
284
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:
5
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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