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127174-97-4 | 3,6,9,12-Tetraoxapentacosanoic acid
CAS No: 127174-97-4 Catalog No: AG000WR5 MDL No:
Product Description
Catalog Number:
AG000WR5
Chemical Name:
3,6,9,12-Tetraoxapentacosanoic acid
CAS Number:
127174-97-4
Molecular Formula:
C21H42O6
Molecular Weight:
390.5546
IUPAC Name:
2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]acetic acid
InChI:
InChI=1S/C21H42O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-24-14-15-25-16-17-26-18-19-27-20-21(22)23/h2-20H2,1H3,(H,22,23)
InChI Key:
YGNNWPABJOELRL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCOCCOCCOCCOCC(=O)O
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.298g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
390.561g/mol
Monoisotopic Mass:
390.298g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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