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129512-75-0 | cis-1-Benzoyl-4-hydroxy-L-proline
CAS No: 129512-75-0 Catalog No: AG0072NS MDL No:
Product Description
Catalog Number:
AG0072NS
Chemical Name:
cis-1-Benzoyl-4-hydroxy-L-proline
CAS Number:
129512-75-0
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
IUPAC Name:
(2S,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C12H13NO4/c14-9-6-10(12(16)17)13(7-9)11(15)8-4-2-1-3-5-8/h1-5,9-10,14H,6-7H2,(H,16,17)/t9-,10+/m1/s1
InChI Key:
YLJPKSKTKJEACX-ZJUUUORDSA-N
SMILES:
O[C@@H]1CN([C@@H](C1)C(=O)O)C(=O)c1ccccc1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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