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759-65-9 | Diethyl 2-methyl-3-oxosuccinate
CAS No: 759-65-9 Catalog No: AG0036NK MDL No:MFCD00009163
Product Description
Catalog Number:
AG0036NK
Chemical Name:
Diethyl 2-methyl-3-oxosuccinate
CAS Number:
759-65-9
Molecular Formula:
C9H14O5
Molecular Weight:
202.2045
MDL Number:
MFCD00009163
IUPAC Name:
diethyl 2-methyl-3-oxobutanedioate
InChI:
InChI=1S/C9H14O5/c1-4-13-8(11)6(3)7(10)9(12)14-5-2/h6H,4-5H2,1-3H3
InChI Key:
OQOCQBJWOCRPQY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)C(C(=O)OCC)C
EC Number:
212-071-7
NSC Number:
33946
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.206g/mol
Monoisotopic Mass:
202.084g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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