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142808-39-7 | Preapiodionene
CAS No: 142808-39-7 Catalog No: AG00A0EJ MDL No:
Product Description
Catalog Number:
AG00A0EJ
Chemical Name:
Preapiodionene
CAS Number:
142808-39-7
IUPAC Name:
(3E)-3-[(E)-1,3,5-trihydroxy-4-methyloct-6-enylidene]pyrrolidine-2,4-dione
InChI:
InChI=1S/C13H19NO5/c1-3-4-8(15)7(2)9(16)5-10(17)12-11(18)6-14-13(12)19/h3-4,7-9,15-17H,5-6H2,1-2H3,(H,14,19)/b4-3+,12-10+
InChI Key:
IEGHCTPMRCDMIH-QMAXVLQRSA-N
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
269.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
269.297g/mol
Monoisotopic Mass:
269.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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