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133319-36-5

133319-36-5 | 2H-Isoindole-2-propanoic acid, 1,3-dihydro-α-hydroxy-1,3-dioxo-, (αS)-

CAS No: 133319-36-5 Catalog No: AG0014MC MDL No:MFCD23135881

Product Description

Catalog Number:
AG0014MC
Chemical Name:
2H-Isoindole-2-propanoic acid, 1,3-dihydro-α-hydroxy-1,3-dioxo-, (αS)-
CAS Number:
133319-36-5
Molecular Formula:
C11H9NO5
Molecular Weight:
235.1929
MDL Number:
MFCD23135881
IUPAC Name:
(2S)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropanoic acid
InChI:
InChI=1S/C11H9NO5/c13-8(11(16)17)5-12-9(14)6-3-1-2-4-7(6)10(12)15/h1-4,8,13H,5H2,(H,16,17)/t8-/m0/s1
InChI Key:
FTYIPEUXWXPNBZ-QMMMGPOBSA-N
SMILES:
O[C@H](C(=O)O)CN1C(=O)c2c(C1=O)cccc2

Properties

Complexity:
343  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
235.048g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
235.195g/mol
Monoisotopic Mass:
235.048g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

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