Chemical ID: 5872043

CN1C(=O)c2ccccc2C1=O
Chemical ID:
5872043
Name [?]:
2-methylisoindoline-1,3-dione
SMILES [?]:
CN1C(=O)c2ccccc2C1=O
InChi [?]:
InChI=1/C9H7NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,6,9,5,10,3,11,2,4,12/E:(2,3)(4,5)(6,7)(8,9)(11,12)/rA:12nCNCOCCCCCCCO/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s2s10;d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.86968
Area:308.79
Solvation:-1.85007
Coulombic:-27.0172
Bond Count [?]
All:13
Single:8
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:161.157
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.13
LogP (Chemaxon):0.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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