Chemical ID: 3966262

Cc1c(c(=O)ccn1C)O
Chemical ID:
3966262
Name [?]:
3-hydroxy-1,2-dimethyl-pyridin-4-one
SMILES [?]:
Cc1c(c(=O)ccn1C)O
InChi [?]:
InChI=1/C7H9NO2/c1-5-7(10)6(9)3-4-8(5)2/h3-4,10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,6,7,2,4,3,8,5,10/rA:10nCCCCOCCNCO/rB:s1;d2;s3;d4;s4;d6;s2s7;s8;s3;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H9NO2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:4.51256
Area:284.49
Solvation:-2.59968
Coulombic:-30.2097
Bond Count [?]
All:10
Single:7
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:139.152
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.32
LogP (Chemaxon):1.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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