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18856-69-4 | Propanedioic acid, 2-[(dimethylamino)methylene]-, 1,3-dimethyl ester
CAS No: 18856-69-4 Catalog No: AG002GZZ MDL No:MFCD00144979
Product Description
Catalog Number:
AG002GZZ
Chemical Name:
Propanedioic acid, 2-[(dimethylamino)methylene]-, 1,3-dimethyl ester
CAS Number:
18856-69-4
Molecular Formula:
C8H13NO4
Molecular Weight:
187.1931
MDL Number:
MFCD00144979
IUPAC Name:
dimethyl 2-(dimethylaminomethylidene)propanedioate
InChI:
InChI=1S/C8H13NO4/c1-9(2)5-6(7(10)12-3)8(11)13-4/h5H,1-4H3
InChI Key:
XGBHOLSNBZBTQK-UHFFFAOYSA-N
SMILES:
COC(=O)C(=CN(C)C)C(=O)OC
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.195g/mol
Monoisotopic Mass:
187.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Dimethyl 2-(amino-methyl-ene)malonate. | Acta crystallographica. Section E, Structure reports online 20080601 |
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