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25007-54-9 | Butanedioic acid, 2-oxo-, 1,4-dimethyl ester
CAS No: 25007-54-9 Catalog No: AG002Q5M MDL No:MFCD11976874
Product Description
Catalog Number:
AG002Q5M
Chemical Name:
Butanedioic acid, 2-oxo-, 1,4-dimethyl ester
CAS Number:
25007-54-9
Molecular Formula:
C6H8O5
Molecular Weight:
160.1247
MDL Number:
MFCD11976874
IUPAC Name:
dimethyl 2-oxobutanedioate
InChI:
InChI=1S/C6H8O5/c1-10-5(8)3-4(7)6(9)11-2/h3H2,1-2H3
InChI Key:
ZOKLUHBZBGHBAB-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)C(=O)OC
NSC Number:
25306
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.037g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.125g/mol
Monoisotopic Mass:
160.037g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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