Chemical ID: 4418087

CC1CCC2C(C1)C(=O)N(C2=O)c3cccc(c3)C(=O)C
Chemical ID:
4418087
Name [?]:
2-(3-acetylphenyl)-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
SMILES [?]:
CC1CCC2C(C1)C(=O)N(C2=O)c3cccc(c3)C(=O)C
InChi [?]:
InChI=1/C17H19NO3/c1-10-6-7-14-15(8-10)17(21)18(16(14)20)13-5-3-4-12(9-13)11(2)19/h3-5,9-10,14-15H,6-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,15,16,14,3,4,7,18,2,19,17,13,5,6,11,8,10,20,12,9/rA:21cCCCCCCCCONCOCCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;s8;s5s10;d11;s10;s13;d14;s15;d16;d13s17;s17;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19NO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:3
ZAP Information [?]
Total:8.00581
Area:460.254
Solvation:-3.50055
Coulombic:-31.7483
Bond Count [?]
All:23
Single:17
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:285.338
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.47
LogP (Chemaxon):1.91

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