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30379-04-5 | Propanedioic acid, 2-(methoxymethyl)-, 1,3-diethyl ester
CAS No: 30379-04-5 Catalog No: AG002ZX9 MDL No:
Product Description
Catalog Number:
AG002ZX9
Chemical Name:
Propanedioic acid, 2-(methoxymethyl)-, 1,3-diethyl ester
CAS Number:
30379-04-5
Molecular Formula:
C9H16O5
Molecular Weight:
204.2203
IUPAC Name:
diethyl 2-(methoxymethyl)propanedioate
InChI:
InChI=1S/C9H16O5/c1-4-13-8(10)7(6-12-3)9(11)14-5-2/h7H,4-6H2,1-3H3
InChI Key:
YMCFEHCCMXDRSV-UHFFFAOYSA-N
SMILES:
COCC(C(=O)OCC)C(=O)OCC
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.222g/mol
Monoisotopic Mass:
204.1g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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