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141034-90-4 | Propanedioic acid, 2-(acetylamino)-2-(2-propen-1-yl)-, 1,3-dimethyl ester
CAS No: 141034-90-4 Catalog No: AG001FRJ MDL No:
Product Description
Catalog Number:
AG001FRJ
Chemical Name:
Propanedioic acid, 2-(acetylamino)-2-(2-propen-1-yl)-, 1,3-dimethyl ester
CAS Number:
141034-90-4
Molecular Formula:
C10H15NO5
Molecular Weight:
229.2298
IUPAC Name:
dimethyl 2-acetamido-2-prop-1-enylpropanedioate
InChI:
InChI=1S/C10H15NO5/c1-5-6-10(8(13)15-3,9(14)16-4)11-7(2)12/h5-6H,1-4H3,(H,11,12)
InChI Key:
JHNXQIZBIXIEIT-UHFFFAOYSA-N
SMILES:
C=CCC(C(=O)OC)(C(=O)OC)NC(=O)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.232g/mol
Monoisotopic Mass:
229.095g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.4
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