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100976-54-3 | 1,2-Benzenediol, 4,4'-(1,3-propanediyl)bis-
CAS No: 100976-54-3 Catalog No: AG0003D1 MDL No:
Product Description
Catalog Number:
AG0003D1
Chemical Name:
1,2-Benzenediol, 4,4'-(1,3-propanediyl)bis-
CAS Number:
100976-54-3
Molecular Formula:
C15H16O4
Molecular Weight:
260.2851
IUPAC Name:
4-[3-(3,4-dihydroxyphenyl)propyl]benzene-1,2-diol
InChI:
InChI=1S/C15H16O4/c16-12-6-4-10(8-14(12)18)2-1-3-11-5-7-13(17)15(19)9-11/h4-9,16-19H,1-3H2
InChI Key:
ORGWDGQXPXQPLJ-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1O)CCCc1ccc(c(c1)O)O
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
260.289g/mol
Monoisotopic Mass:
260.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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