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866144-51-6 | 4-methyl-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanoic acid
CAS No: 866144-51-6 Catalog No: AG00IZ6C MDL No:MFCD03305892
Product Description
Catalog Number:
AG00IZ6C
Chemical Name:
4-methyl-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanoic acid
CAS Number:
866144-51-6
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
MDL Number:
MFCD03305892
IUPAC Name:
4-methyl-3-(3-oxo-1H-isoindol-2-yl)pentanoic acid
InChI:
InChI=1S/C14H17NO3/c1-9(2)12(7-13(16)17)15-8-10-5-3-4-6-11(10)14(15)18/h3-6,9,12H,7-8H2,1-2H3,(H,16,17)
InChI Key:
YGLGUPAEFIXUOO-UHFFFAOYSA-N
SMILES:
OC(=O)CC(N1Cc2c(C1=O)cccc2)C(C)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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