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81426-68-8 | Butanedioic acid, 2-hydroxy-2-methyl-, dimethyl ester, (R)-
CAS No: 81426-68-8 Catalog No: AG005KKD MDL No:
Product Description
Catalog Number:
AG005KKD
Chemical Name:
Butanedioic acid, 2-hydroxy-2-methyl-, dimethyl ester, (R)-
CAS Number:
81426-68-8
Molecular Formula:
C7H12O5
Molecular Weight:
176.1672
IUPAC Name:
dimethyl (2R)-2-hydroxy-2-methylbutanedioate
InChI:
InChI=1S/C7H12O5/c1-7(10,6(9)12-3)4-5(8)11-2/h10H,4H2,1-3H3/t7-/m1/s1
InChI Key:
GMSSNUSBKDUVFC-SSDOTTSWSA-N
SMILES:
COC(=O)C[C@](C(=O)OC)(O)C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
176.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.168g/mol
Monoisotopic Mass:
176.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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