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138480-36-1 | Pentanal, 5-(2,6-dioxo-3-piperidinylidene)-, (5E)-
CAS No: 138480-36-1 Catalog No: AG00199G MDL No:
Product Description
Catalog Number:
AG00199G
Chemical Name:
Pentanal, 5-(2,6-dioxo-3-piperidinylidene)-, (5E)-
CAS Number:
138480-36-1
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
IUPAC Name:
5-(2,6-dioxopiperidin-3-ylidene)pentanal
InChI:
InChI=1S/C10H13NO3/c12-7-3-1-2-4-8-5-6-9(13)11-10(8)14/h4,7H,1-3,5-6H2,(H,11,13,14)
InChI Key:
WNBPKNVTCOYHHQ-UHFFFAOYSA-N
SMILES:
O=CCCC/C=C/1\CCC(=O)NC1=O
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.2
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