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147332-09-0 | 2,3-Pyrrolidinedicarboxylic acid, (2S,3R)-
CAS No: 147332-09-0 Catalog No: AG001ETN MDL No:
Product Description
Catalog Number:
AG001ETN
Chemical Name:
2,3-Pyrrolidinedicarboxylic acid, (2S,3R)-
CAS Number:
147332-09-0
Molecular Formula:
C6H9NO4
Molecular Weight:
159.1400
IUPAC Name:
(2S,3R)-pyrrolidine-2,3-dicarboxylic acid
InChI:
InChI=1S/C6H9NO4/c8-5(9)3-1-2-7-4(3)6(10)11/h3-4,7H,1-2H2,(H,8,9)(H,10,11)/t3-,4+/m1/s1
InChI Key:
GLQKHRAKKLRGNR-DMTCNVIQSA-N
SMILES:
OC(=O)[C@H]1NCC[C@H]1C(=O)O
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
159.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
159.141g/mol
Monoisotopic Mass:
159.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.2
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