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Home > Indoles and Oxindole > 109258-71-1
109258-71-1 | methyl 5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-oxopentanoate
CAS No: 109258-71-1 Catalog No: AG00VUP3 MDL No:MFCD00591807
Product Description
Catalog Number:
AG00VUP3
Chemical Name:
methyl 5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-oxopentanoate
CAS Number:
109258-71-1
Molecular Formula:
C14H13NO5
Molecular Weight:
275.2567
MDL Number:
MFCD00591807
IUPAC Name:
methyl 5-(1,3-dioxoisoindol-2-yl)-4-oxopentanoate
InChI:
InChI=1S/C14H13NO5/c1-20-12(17)7-6-9(16)8-15-13(18)10-4-2-3-5-11(10)14(15)19/h2-5H,6-8H2,1H3
InChI Key:
KFILPVALWMTVMP-UHFFFAOYSA-N
SMILES:
COC(=O)CCC(=O)CN1C(=O)c2c(C1=O)cccc2
NSC Number:
619109
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.079g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.26g/mol
Monoisotopic Mass:
275.079g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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