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885524-91-4 | 3-METHYL-2-(5-METHYL-1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-BUTYRIC ACID
CAS No: 885524-91-4 Catalog No: AG019OSI MDL No:MFCD08271772
Product Description
Catalog Number:
AG019OSI
Chemical Name:
3-METHYL-2-(5-METHYL-1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-BUTYRIC ACID
CAS Number:
885524-91-4
Molecular Formula:
C14H15NO4
Molecular Weight:
261.2732
MDL Number:
MFCD08271772
IUPAC Name:
3-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)butanoic acid
InChI:
InChI=1S/C14H15NO4/c1-7(2)11(14(18)19)15-12(16)9-5-4-8(3)6-10(9)13(15)17/h4-7,11H,1-3H3,(H,18,19)
InChI Key:
CSRWABWFOSOKEU-UHFFFAOYSA-N
SMILES:
CC(C(N1C(=O)c2c(C1=O)ccc(c2)C)C(=O)O)C
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.277g/mol
Monoisotopic Mass:
261.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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