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16783-43-0 | 2-Pyrrolidineacetic acid, 5-(carboxymethylene)-
CAS No: 16783-43-0 Catalog No: AG001XN3 MDL No:
Product Description
Catalog Number:
AG001XN3
Chemical Name:
2-Pyrrolidineacetic acid, 5-(carboxymethylene)-
CAS Number:
16783-43-0
Molecular Formula:
C8H11NO4
Molecular Weight:
185.1772
IUPAC Name:
2-[5-(carboxymethylidene)pyrrolidin-2-yl]acetic acid
InChI:
InChI=1S/C8H11NO4/c10-7(11)3-5-1-2-6(9-5)4-8(12)13/h3,6,9H,1-2,4H2,(H,10,11)(H,12,13)
InChI Key:
FJXQMTLCQPERIC-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCC(=CC(=O)O)N1
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
185.179g/mol
Monoisotopic Mass:
185.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
0
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