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133318-40-8 | Propanedioic acid, 2-oxo-, 1,3-diethyl ester, hydrate (1:1)
CAS No: 133318-40-8 Catalog No: AG0014MD MDL No:MFCD28101749
Product Description
Catalog Number:
AG0014MD
Chemical Name:
Propanedioic acid, 2-oxo-, 1,3-diethyl ester, hydrate (1:1)
CAS Number:
133318-40-8
Molecular Formula:
C7H12O6
Molecular Weight:
192.1666
MDL Number:
MFCD28101749
IUPAC Name:
diethyl 2-oxopropanedioate;hydrate
InChI:
InChI=1S/C7H10O5.H2O/c1-3-11-6(9)5(8)7(10)12-4-2;/h3-4H2,1-2H3;1H2
InChI Key:
OEWWEABZDCFLPH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)C(=O)OCC.O
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
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:
1
Isotope Atom Count:
0
Molecular Weight:
192.167g/mol
Monoisotopic Mass:
192.063g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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