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188893-12-1 | Benzoic acid, 3,4-bis[(11-hydroxyundecyl)oxy]-
CAS No: 188893-12-1 Catalog No: AG002HH5 MDL No:
Product Description
Catalog Number:
AG002HH5
Chemical Name:
Benzoic acid, 3,4-bis[(11-hydroxyundecyl)oxy]-
CAS Number:
188893-12-1
Molecular Formula:
C29H50O6
Molecular Weight:
494.7037
IUPAC Name:
3,4-bis(11-hydroxyundecoxy)benzoic acid
InChI:
InChI=1S/C29H50O6/c30-21-15-11-7-3-1-5-9-13-17-23-34-27-20-19-26(29(32)33)25-28(27)35-24-18-14-10-6-2-4-8-12-16-22-31/h19-20,25,30-31H,1-18,21-24H2,(H,32,33)
InChI Key:
VUBCBTMSXDIWNW-UHFFFAOYSA-N
SMILES:
OCCCCCCCCCCCOc1cc(ccc1OCCCCCCCCCCCO)C(=O)O
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
494.361g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
494.713g/mol
Monoisotopic Mass:
494.361g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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