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145294-78-6 | 2-Propenoic acid, 3-(2-oxo-1-pyrrolidinyl)-, methyl ester, (2E)-
CAS No: 145294-78-6 Catalog No: AG001KRG MDL No:
Product Description
Catalog Number:
AG001KRG
Chemical Name:
2-Propenoic acid, 3-(2-oxo-1-pyrrolidinyl)-, methyl ester, (2E)-
CAS Number:
145294-78-6
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
IUPAC Name:
methyl 3-(2-oxopyrrolidin-1-yl)prop-2-enoate
InChI:
InChI=1S/C8H11NO3/c1-12-8(11)4-6-9-5-2-3-7(9)10/h4,6H,2-3,5H2,1H3
InChI Key:
NRLWJEXUEIMMPF-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/N1CCCC1=O
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.18g/mol
Monoisotopic Mass:
169.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.1
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