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125482-07-7 | Benzoic acid, 3,5-bis(decyloxy)-
CAS No: 125482-07-7 Catalog No: AG000NQN MDL No:
Product Description
Catalog Number:
AG000NQN
Chemical Name:
Benzoic acid, 3,5-bis(decyloxy)-
CAS Number:
125482-07-7
Molecular Formula:
C27H46O4
Molecular Weight:
434.6517
IUPAC Name:
3,5-didecoxybenzoic acid
InChI:
InChI=1S/C27H46O4/c1-3-5-7-9-11-13-15-17-19-30-25-21-24(27(28)29)22-26(23-25)31-20-18-16-14-12-10-8-6-4-2/h21-23H,3-20H2,1-2H3,(H,28,29)
InChI Key:
YRNZOVUMYBUPTG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1cc(OCCCCCCCCCC)cc(c1)C(=O)O
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.34g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
434.661g/mol
Monoisotopic Mass:
434.34g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.4
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