Chemical ID: 4532286

C1C2C=CC1C3C2C(=O)NC3=O
Chemical ID:
4532286
Name [?]:
None
SMILES [?]:
C1C2C=CC1C3C2C(=O)NC3=O
InChi [?]:
InChI=1/C9H9NO2/c11-8-6-4-1-2-5(3-4)7(6)9(12)10-8/h1-2,4-7H,3H2,(H,10,11,12)
InChi Info:
AuxInfo=1/1/N:3,4,1,2,5,7,6,8,11,10,9,12/E:(1,2)(4,5)(6,7)(8,9)(11,12)/rA:12cCCCCCCCCONCO/rB:s1;s2;d3;s1s4;s5;s2s6;s7;d8;s8;s6s10;d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:4
ZAP Information [?]
Total:5.24856
Area:300.569
Solvation:-2.26566
Coulombic:-28.0071
Bond Count [?]
All:14
Single:11
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:163.173
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.0
LogP (Chemaxon):-0.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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