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1392266-69-1 | 3-Pyrrolidinecarboxylic acid, 4-(2-hydroxyphenyl)-, (3R,4S)-rel-
CAS No: 1392266-69-1 Catalog No: AG001AJ7 MDL No:
Product Description
Catalog Number:
AG001AJ7
Chemical Name:
3-Pyrrolidinecarboxylic acid, 4-(2-hydroxyphenyl)-, (3R,4S)-rel-
CAS Number:
1392266-69-1
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
IUPAC Name:
(3R,4S)-4-(2-hydroxyphenyl)pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C11H13NO3/c13-10-4-2-1-3-7(10)8-5-12-6-9(8)11(14)15/h1-4,8-9,12-13H,5-6H2,(H,14,15)/t8-,9+/m1/s1
InChI Key:
IFIKXMUAZCUXJB-BDAKNGLRSA-N
SMILES:
OC(=O)[C@H]1CNC[C@@H]1c1ccccc1O
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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