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120001-52-7 | 3,6,9,12,15-Pentaoxanonacosanoic acid
CAS No: 120001-52-7 Catalog No: AG000Q20 MDL No:
Product Description
Catalog Number:
AG000Q20
Chemical Name:
3,6,9,12,15-Pentaoxanonacosanoic acid
CAS Number:
120001-52-7
Molecular Formula:
C24H48O7
Molecular Weight:
448.6337
IUPAC Name:
2-[2-[2-[2-(2-tetradecoxyethoxy)ethoxy]ethoxy]ethoxy]acetic acid
InChI:
InChI=1S/C24H48O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-15-16-28-17-18-29-19-20-30-21-22-31-23-24(25)26/h2-23H2,1H3,(H,25,26)
InChI Key:
NEEIQNHHOHZZBE-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCOCCOCCOCCOCCOCC(=O)O
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.34g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
448.641g/mol
Monoisotopic Mass:
448.34g/mol
Rotatable Bond Count:
27
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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