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114126-88-4 | L-Proline, 1-(3-hydroxybenzoyl)-
CAS No: 114126-88-4 Catalog No: AG000AN1 MDL No:
Product Description
Catalog Number:
AG000AN1
Chemical Name:
L-Proline, 1-(3-hydroxybenzoyl)-
CAS Number:
114126-88-4
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
IUPAC Name:
1-(3-hydroxybenzoyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C12H13NO4/c14-9-4-1-3-8(7-9)11(15)13-6-2-5-10(13)12(16)17/h1,3-4,7,10,14H,2,5-6H2,(H,16,17)
InChI Key:
FCOSSZNBCBYISN-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)O
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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