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88444-01-3 | Pentanedioic acid, 3-hydroxy-3-[10-(2-methylcyclohexyl)decyl]-
CAS No: 88444-01-3 Catalog No: AG004HBT MDL No:
Product Description
Catalog Number:
AG004HBT
Chemical Name:
Pentanedioic acid, 3-hydroxy-3-[10-(2-methylcyclohexyl)decyl]-
CAS Number:
88444-01-3
Molecular Formula:
C22H40O5
Molecular Weight:
384.5500
IUPAC Name:
3-hydroxy-3-[10-(2-methylcyclohexyl)decyl]pentanedioic acid
InChI:
InChI=1S/C22H40O5/c1-18-12-9-10-14-19(18)13-8-6-4-2-3-5-7-11-15-22(27,16-20(23)24)17-21(25)26/h18-19,27H,2-17H2,1H3,(H,23,24)(H,25,26)
InChI Key:
GVFUTDQKNMAUOQ-UHFFFAOYSA-N
SMILES:
OC(=O)CC(CC(=O)O)(CCCCCCCCCCC1CCCCC1C)O
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.288g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
384.557g/mol
Monoisotopic Mass:
384.288g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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