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146344-91-4 | 1,4-Benzenediol, 2-sec-dodecyl-5-sec-tetradecyl- (9CI)
CAS No: 146344-91-4 Catalog No: AG001DXP MDL No:
Product Description
Catalog Number:
AG001DXP
Chemical Name:
1,4-Benzenediol, 2-sec-dodecyl-5-sec-tetradecyl- (9CI)
CAS Number:
146344-91-4
Molecular Formula:
C32H58O2
Molecular Weight:
474.8017
IUPAC Name:
2-dodecan-2-yl-5-tetradecan-2-ylbenzene-1,4-diol
InChI:
InChI=1S/C32H58O2/c1-5-7-9-11-13-15-16-18-20-22-24-28(4)30-26-31(33)29(25-32(30)34)27(3)23-21-19-17-14-12-10-8-6-2/h25-28,33-34H,5-24H2,1-4H3
InChI Key:
MILAACABUFGAHH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC(c1cc(O)c(cc1O)C(CCCCCCCCCC)C)C
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
474.444g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
474.814g/mol
Monoisotopic Mass:
474.444g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
14.3
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