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86729-01-3 | Butanoic acid, 4-chloro-3-hydroxy-, decyl ester, (R)-
CAS No: 86729-01-3 Catalog No: AG004T1R MDL No:
Product Description
Catalog Number:
AG004T1R
Chemical Name:
Butanoic acid, 4-chloro-3-hydroxy-, decyl ester, (R)-
CAS Number:
86729-01-3
Molecular Formula:
C14H27ClO3
Molecular Weight:
278.8154
IUPAC Name:
decyl (3R)-4-chloro-3-hydroxybutanoate
InChI:
InChI=1S/C14H27ClO3/c1-2-3-4-5-6-7-8-9-10-18-14(17)11-13(16)12-15/h13,16H,2-12H2,1H3/t13-/m1/s1
InChI Key:
OMVGVLDYXKQAIP-CYBMUJFWSA-N
SMILES:
CCCCCCCCCCOC(=O)C[C@H](CCl)O
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
278.165g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.817g/mol
Monoisotopic Mass:
278.165g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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