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830341-66-7 | Pentanedioic acid, 2-hydroxy-, bis(2-methylpropyl) ester, (2S)-
CAS No: 830341-66-7 Catalog No: AG005CPG MDL No:
Product Description
Catalog Number:
AG005CPG
Chemical Name:
Pentanedioic acid, 2-hydroxy-, bis(2-methylpropyl) ester, (2S)-
CAS Number:
830341-66-7
Molecular Formula:
C13H24O5
Molecular Weight:
260.3267
IUPAC Name:
bis(2-methylpropyl) (2S)-2-hydroxypentanedioate
InChI:
InChI=1S/C13H24O5/c1-9(2)7-17-12(15)6-5-11(14)13(16)18-8-10(3)4/h9-11,14H,5-8H2,1-4H3/t11-/m0/s1
InChI Key:
KHDDRFIWSQTBHT-NSHDSACASA-N
SMILES:
CC(COC(=O)CC[C@@H](C(=O)OCC(C)C)O)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
260.162g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.33g/mol
Monoisotopic Mass:
260.162g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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