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29340-86-1 | Propanedioic acid, 2,2-dimethoxy-, 1,3-dimethyl ester
CAS No: 29340-86-1 Catalog No: AG002Y3K MDL No:
Product Description
Catalog Number:
AG002Y3K
Chemical Name:
Propanedioic acid, 2,2-dimethoxy-, 1,3-dimethyl ester
CAS Number:
29340-86-1
Molecular Formula:
C7H12O6
Molecular Weight:
192.1666
IUPAC Name:
dimethyl 2,2-dimethoxypropanedioate
InChI:
InChI=1S/C7H12O6/c1-10-5(8)7(12-3,13-4)6(9)11-2/h1-4H3
InChI Key:
DDOKOCSCHTUTIA-UHFFFAOYSA-N
SMILES:
COC(C(=O)OC)(C(=O)OC)OC
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.167g/mol
Monoisotopic Mass:
192.063g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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