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18856-68-3 | Propanedioic acid, 2-[(dimethylamino)methylene]-, 1,3-diethyl ester
CAS No: 18856-68-3 Catalog No: AG002H00 MDL No:MFCD00052394
Product Description
Catalog Number:
AG002H00
Chemical Name:
Propanedioic acid, 2-[(dimethylamino)methylene]-, 1,3-diethyl ester
CAS Number:
18856-68-3
Molecular Formula:
C10H17NO4
Molecular Weight:
215.2463
MDL Number:
MFCD00052394
IUPAC Name:
diethyl 2-(dimethylaminomethylidene)propanedioate
InChI:
InChI=1S/C10H17NO4/c1-5-14-9(12)8(7-11(3)4)10(13)15-6-2/h7H,5-6H2,1-4H3
InChI Key:
XNSXXTKUKYWLAH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=CN(C)C)C(=O)OCC
NSC Number:
522482
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.249g/mol
Monoisotopic Mass:
215.116g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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