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189129-23-5 | 2-Butenoic acid, 4-oxo-4-(propylamino)-, methyl ester, (2E)-
CAS No: 189129-23-5 Catalog No: AG002HWH MDL No:
Product Description
Catalog Number:
AG002HWH
Chemical Name:
2-Butenoic acid, 4-oxo-4-(propylamino)-, methyl ester, (2E)-
CAS Number:
189129-23-5
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
IUPAC Name:
methyl 4-oxo-4-(propylamino)but-2-enoate
InChI:
InChI=1S/C8H13NO3/c1-3-6-9-7(10)4-5-8(11)12-2/h4-5H,3,6H2,1-2H3,(H,9,10)
InChI Key:
OLVIWOSSWCLGRW-UHFFFAOYSA-N
SMILES:
CCCNC(=O)/C=C/C(=O)OC
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.196g/mol
Monoisotopic Mass:
171.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.5
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