Home Other Building Blocks 3-(2,3-dihydro-1H-isoindol-2-yl)-2-hydroxy-2-methylpropanoic acid hydrochloride

3-(2,3-dihydro-1H-isoindol-2-yl)-2-hydroxy-2-methylpropanoic acid hydrochloride

CAS No.:
1803592-22-4
Catalog Number:
AG01BDS2
Molecular Formula:
C12H16ClNO3
Molecular Weight:
257.7133
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Product Description
Catalog Number:
AG01BDS2
Chemical Name:
3-(2,3-dihydro-1H-isoindol-2-yl)-2-hydroxy-2-methylpropanoic acid hydrochloride
CAS Number:
1803592-22-4
Molecular Formula:
C12H16ClNO3
Molecular Weight:
257.7133
MDL Number:
MFCD28064183
IUPAC Name:
3-(1,3-dihydroisoindol-2-yl)-2-hydroxy-2-methylpropanoic acid;hydrochloride
InChI:
InChI=1S/C12H15NO3.ClH/c1-12(16,11(14)15)8-13-6-9-4-2-3-5-10(9)7-13;/h2-5,16H,6-8H2,1H3,(H,14,15);1H
InChI Key:
RKJJEXSNLRIUEO-UHFFFAOYSA-N
SMILES:
OC(=O)C(CN1Cc2c(C1)cccc2)(O)C.Cl
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.082g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
257.714g/mol
Monoisotopic Mass:
257.082g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties