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15725-69-6 | Propanedioic acid, 2-hydroxy-2-methyl-, 1,3-dimethyl ester
CAS No: 15725-69-6 Catalog No: AG001PBP MDL No:
Product Description
Catalog Number:
AG001PBP
Chemical Name:
Propanedioic acid, 2-hydroxy-2-methyl-, 1,3-dimethyl ester
CAS Number:
15725-69-6
Molecular Formula:
C6H10O5
Molecular Weight:
162.1406
IUPAC Name:
dimethyl 2-(hydroxymethyl)propanedioate
InChI:
InChI=1S/C6H10O5/c1-10-5(8)4(3-7)6(9)11-2/h4,7H,3H2,1-2H3
InChI Key:
NHNPRKKETLWUJQ-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)OC)(O)C
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.141g/mol
Monoisotopic Mass:
162.053g/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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