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132785-32-1 | 3-Pyrrolidineacetic acid, 2-carboxy-4-(2-hydroxyphenyl)-, (2S,3S,4S)-
CAS No: 132785-32-1 Catalog No: AG00115I MDL No:
Product Description
Catalog Number:
AG00115I
Chemical Name:
3-Pyrrolidineacetic acid, 2-carboxy-4-(2-hydroxyphenyl)-, (2S,3S,4S)-
CAS Number:
132785-32-1
Molecular Formula:
C13H15NO5
Molecular Weight:
265.2619
IUPAC Name:
3-(carboxymethyl)-4-(2-hydroxyphenyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C13H15NO5/c15-10-4-2-1-3-7(10)9-6-14-12(13(18)19)8(9)5-11(16)17/h1-4,8-9,12,14-15H,5-6H2,(H,16,17)(H,18,19)
InChI Key:
JSMYHXFFKXKZRN-UHFFFAOYSA-N
SMILES:
OC(=O)C[C@@H]1[C@H](NC[C@@H]1c1ccccc1O)C(=O)O
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
265.265g/mol
Monoisotopic Mass:
265.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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