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866144-55-0 | 4-methyl-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)hexanoic acid
CAS No: 866144-55-0 Catalog No: AG00IT1H MDL No:MFCD03305896
Product Description
Catalog Number:
AG00IT1H
Chemical Name:
4-methyl-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)hexanoic acid
CAS Number:
866144-55-0
Molecular Formula:
C15H19NO3
Molecular Weight:
261.3163
MDL Number:
MFCD03305896
IUPAC Name:
4-methyl-3-(3-oxo-1H-isoindol-2-yl)hexanoic acid
InChI:
InChI=1S/C15H19NO3/c1-3-10(2)13(8-14(17)18)16-9-11-6-4-5-7-12(11)15(16)19/h4-7,10,13H,3,8-9H2,1-2H3,(H,17,18)
InChI Key:
LGTRRJUETOWDJI-UHFFFAOYSA-N
SMILES:
CCC(C(N1Cc2c(C1=O)cccc2)CC(=O)O)C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.321g/mol
Monoisotopic Mass:
261.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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