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119777-70-7 | Acetic acid, 2-[(2-hydroxydodecyl)oxy]-
CAS No: 119777-70-7 Catalog No: AG000PMC MDL No:
Product Description
Catalog Number:
AG000PMC
Chemical Name:
Acetic acid, 2-[(2-hydroxydodecyl)oxy]-
CAS Number:
119777-70-7
Molecular Formula:
C14H28O4
Molecular Weight:
260.3697
IUPAC Name:
2-(2-hydroxydodecoxy)acetic acid
InChI:
InChI=1S/C14H28O4/c1-2-3-4-5-6-7-8-9-10-13(15)11-18-12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)
InChI Key:
XVJWWVJIZHEXLO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC(COCC(=O)O)O
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.199g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.374g/mol
Monoisotopic Mass:
260.199g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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