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95691-09-1 | 5-(1,3-dioxoisoindolin-2-yl)pentanal
CAS No: 95691-09-1 Catalog No: AG01DKFY MDL No:MFCD28900413
Product Description
Catalog Number:
AG01DKFY
Chemical Name:
5-(1,3-dioxoisoindolin-2-yl)pentanal
CAS Number:
95691-09-1
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
MDL Number:
MFCD28900413
IUPAC Name:
5-(1,3-dioxoisoindol-2-yl)pentanal
InChI:
InChI=1S/C13H13NO3/c15-9-5-1-4-8-14-12(16)10-6-2-3-7-11(10)13(14)17/h2-3,6-7,9H,1,4-5,8H2
InChI Key:
WMJZCJDWHBNSLB-UHFFFAOYSA-N
SMILES:
O=CCCCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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