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178813-39-3 | L-Proline, 5-(2-hydroxyethyl)-, cis- (9CI)
CAS No: 178813-39-3 Catalog No: AG0026EG MDL No:
Product Description
Catalog Number:
AG0026EG
Chemical Name:
L-Proline, 5-(2-hydroxyethyl)-, cis- (9CI)
CAS Number:
178813-39-3
Molecular Formula:
C7H13NO3
Molecular Weight:
159.1830
IUPAC Name:
(2S,5R)-5-(2-hydroxyethyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C7H13NO3/c9-4-3-5-1-2-6(8-5)7(10)11/h5-6,8-9H,1-4H2,(H,10,11)/t5-,6+/m1/s1
InChI Key:
OXXYTOOUITWUHR-RITPCOANSA-N
SMILES:
OCC[C@H]1CC[C@H](N1)C(=O)O
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
159.09g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
159.185g/mol
Monoisotopic Mass:
159.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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