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130695-36-2 | 2H-Isoindole-2-butanoic acid, 1,3-dihydro-α-hydroxy-1,3-dioxo-, methyl ester
CAS No: 130695-36-2 Catalog No: AG000UT7 MDL No:
Product Description
Catalog Number:
AG000UT7
Chemical Name:
2H-Isoindole-2-butanoic acid, 1,3-dihydro-α-hydroxy-1,3-dioxo-, methyl ester
CAS Number:
130695-36-2
Molecular Formula:
C13H13NO5
Molecular Weight:
263.2460
IUPAC Name:
methyl 4-(1,3-dioxoisoindol-2-yl)-2-hydroxybutanoate
InChI:
InChI=1S/C13H13NO5/c1-19-13(18)10(15)6-7-14-11(16)8-4-2-3-5-9(8)12(14)17/h2-5,10,15H,6-7H2,1H3
InChI Key:
USEAEYZYJCMLHF-UHFFFAOYSA-N
SMILES:
COC(=O)C(CCN1C(=O)c2c(C1=O)cccc2)O
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.249g/mol
Monoisotopic Mass:
263.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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