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144879-25-4 | Dodecanoic acid, 12-[2-(3-carboxypropoxy)phenoxy]-
CAS No: 144879-25-4 Catalog No: AG001K9V MDL No:
Product Description
Catalog Number:
AG001K9V
Chemical Name:
Dodecanoic acid, 12-[2-(3-carboxypropoxy)phenoxy]-
CAS Number:
144879-25-4
Molecular Formula:
C22H34O6
Molecular Weight:
394.5018
IUPAC Name:
12-[2-(3-carboxypropoxy)phenoxy]dodecanoic acid
InChI:
InChI=1S/C22H34O6/c23-21(24)15-8-6-4-2-1-3-5-7-11-17-27-19-13-9-10-14-20(19)28-18-12-16-22(25)26/h9-10,13-14H,1-8,11-12,15-18H2,(H,23,24)(H,25,26)
InChI Key:
MOVOPGPUBCSTSD-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCCCCCOc1ccccc1OCCCC(=O)O
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.236g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
394.508g/mol
Monoisotopic Mass:
394.236g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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