Chemical ID: 5228612

CC(=O)Nc1ccccc1C=O
Chemical ID:
5228612
Name [?]:
N-(2-formylphenyl)acetamide
SMILES [?]:
CC(=O)Nc1ccccc1C=O
InChi [?]:
InChI=1/C9H9NO2/c1-7(12)10-9-5-3-2-4-8(9)6-11/h2-6H,1H3,(H,10,12)
InChi Info:
AuxInfo=1/1/N:1,8,7,9,6,11,2,10,5,4,12,3/rA:12nCCONCCCCCCCO/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.11057
Area:330.271
Solvation:-3.14622
Coulombic:-26.3696
Bond Count [?]
All:12
Single:7
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:163.173
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.4
LogP (Chemaxon):1.7

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Descriptor Annotations

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