Home Other Building Blocks 2-hydroxy-2-methyl-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid

2-hydroxy-2-methyl-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid

CAS No.:
1480244-90-3
Catalog Number:
AG01BDUQ
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
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Product Description
Catalog Number:
AG01BDUQ
Chemical Name:
2-hydroxy-2-methyl-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid
CAS Number:
1480244-90-3
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
MDL Number:
MFCD20075482
IUPAC Name:
2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanoic acid
InChI:
InChI=1S/C12H13NO4/c1-12(17,11(15)16)7-13-6-8-4-2-3-5-9(8)10(13)14/h2-5,17H,6-7H2,1H3,(H,15,16)
InChI Key:
KTPALVNDTZFFOD-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2c1cccc2)CC(C(=O)O)(O)C
Properties
Complexity:
343  
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:
3  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties