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16199-99-8 | 3-Pyrrolidinecarboxylic acid, 5-oxo-1-(2-propen-1-yl)-
CAS No: 16199-99-8 Catalog No: AG001SLK MDL No:MFCD03670868
Product Description
Catalog Number:
AG001SLK
Chemical Name:
3-Pyrrolidinecarboxylic acid, 5-oxo-1-(2-propen-1-yl)-
CAS Number:
16199-99-8
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
MDL Number:
MFCD03670868
IUPAC Name:
5-oxo-1-prop-2-enylpyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C8H11NO3/c1-2-3-9-5-6(8(11)12)4-7(9)10/h2,6H,1,3-5H2,(H,11,12)
InChI Key:
NQPNARIZMOTIPS-UHFFFAOYSA-N
SMILES:
OC(=O)C1CN(C(=O)C1)CC=C
Properties
Complexity:
224
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:
1
Isotope Atom Count:
0
Molecular Weight:
169.18g/mol
Monoisotopic Mass:
169.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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