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24559-78-2 | 2-Butenedioic acid, 2-(propylamino)-, dimethyl ester, (Z)- (9CI)
CAS No: 24559-78-2 Catalog No: AG002OJE MDL No:
Product Description
Catalog Number:
AG002OJE
Chemical Name:
2-Butenedioic acid, 2-(propylamino)-, dimethyl ester, (Z)- (9CI)
CAS Number:
24559-78-2
Molecular Formula:
C9H15NO4
Molecular Weight:
201.2197
IUPAC Name:
dimethyl 2-(propylamino)but-2-enedioate
InChI:
InChI=1S/C9H15NO4/c1-4-5-10-7(9(12)14-3)6-8(11)13-2/h6,10H,4-5H2,1-3H3
InChI Key:
GZUSBTOCWBMVIS-UHFFFAOYSA-N
SMILES:
CCCN/C(=C\C(=O)OC)/C(=O)OC
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.222g/mol
Monoisotopic Mass:
201.1g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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