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827044-75-7 | Propanedioic acid, (acetyl-2-propenylamino)-2-propenyl-, diethyl ester
CAS No: 827044-75-7 Catalog No: AG0050TA MDL No:
Product Description
Catalog Number:
AG0050TA
Chemical Name:
Propanedioic acid, (acetyl-2-propenylamino)-2-propenyl-, diethyl ester
CAS Number:
827044-75-7
Molecular Formula:
C15H23NO5
Molecular Weight:
297.3468
IUPAC Name:
diethyl 2-[acetyl(prop-2-enyl)amino]-2-prop-1-enylpropanedioate
InChI:
InChI=1S/C15H23NO5/c1-6-10-15(13(18)20-8-3,14(19)21-9-4)16(11-7-2)12(5)17/h6-7,10H,2,8-9,11H2,1,3-5H3
InChI Key:
OZZZXRFCBXDPMD-UHFFFAOYSA-N
SMILES:
C=CCN(C(C(=O)OCC)(C(=O)OCC)C=CC)C(=O)C
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.158g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.351g/mol
Monoisotopic Mass:
297.158g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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