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114804-94-3 | Propanoic acid, 2-hydroxy-, 2-hexyldecyl ester
CAS No: 114804-94-3 Catalog No: AG000F8Z MDL No:
Product Description
Catalog Number:
AG000F8Z
Chemical Name:
Propanoic acid, 2-hydroxy-, 2-hexyldecyl ester
CAS Number:
114804-94-3
Molecular Formula:
C19H38O3
Molecular Weight:
314.5032
IUPAC Name:
2-hexyldecyl 2-hydroxypropanoate
InChI:
InChI=1S/C19H38O3/c1-4-6-8-10-11-13-15-18(14-12-9-7-5-2)16-22-19(21)17(3)20/h17-18,20H,4-16H2,1-3H3
InChI Key:
JYJQHAHKQJAPNP-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(COC(=O)C(O)C)CCCCCC
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.282g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.51g/mol
Monoisotopic Mass:
314.282g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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