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1217838-84-0 | (2R)-4-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanoic acid
CAS No: 1217838-84-0 Catalog No: AG01EKR9 MDL No:MFCD31431455
Product Description
Catalog Number:
AG01EKR9
Chemical Name:
(2R)-4-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanoic acid
CAS Number:
1217838-84-0
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
MDL Number:
MFCD31431455
IUPAC Name:
(2R)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanoic acid
InChI:
InChI=1S/C14H17NO3/c1-9(2)7-12(14(17)18)15-8-10-5-3-4-6-11(10)13(15)16/h3-6,9,12H,7-8H2,1-2H3,(H,17,18)/t12-/m1/s1
InChI Key:
FBKXGYIYIKDCSB-GFCCVEGCSA-N
SMILES:
CC(C[C@@H](N1Cc2c(C1=O)cccc2)C(=O)O)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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