3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, monohydrate,[2S-(2a,3b,4b)]-


Chemical Name: 3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, monohydrate,[2S-(2a,3b,4b)]-
CAS Number: 58002-62-3
Product Number: AG00352K(AGN-PC-0SOXJP)
Synonyms:
MDL No:
Molecular Formula: C10H17NO5
Molecular Weight: 231.2457

Identification/Properties


Properties
MP:
>211°C (dec.)
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
231.248g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
231.111g/mol
Monoisotopic Mass:
231.111g/mol
Topological Polar Surface Area:
87.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
300
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
N/A
Hazard Statements:
-
Precautionary Statements:
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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