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10171-92-3 | Pentanedioic acid, 2-methyl-, 1,5-dimethyl ester, (2S)-
CAS No: 10171-92-3 Catalog No: AG00059Y MDL No:MFCD00671564
Product Description
Catalog Number:
AG00059Y
Chemical Name:
Pentanedioic acid, 2-methyl-, 1,5-dimethyl ester, (2S)-
CAS Number:
10171-92-3
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
MDL Number:
MFCD00671564
IUPAC Name:
dimethyl (2S)-2-methylpentanedioate
InChI:
InChI=1S/C8H14O4/c1-6(8(10)12-3)4-5-7(9)11-2/h6H,4-5H2,1-3H3/t6-/m0/s1
InChI Key:
ZWKKRUNHAVNSFW-LURJTMIESA-N
SMILES:
COC(=O)CC[C@@H](C(=O)OC)C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
174.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.196g/mol
Monoisotopic Mass:
174.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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