Chemical ID: 6167094

CC1=NOC(=O)C1=Cc2cc(ccc2OC)OC
Chemical ID:
6167094
Name [?]:
4-[(2,5-dimethoxyphenyl)methylene]-3-methyl-isoxazol-5-one
SMILES [?]:
CC1=NOC(=O)C1=Cc2cc(ccc2OC)OC
InChi [?]:
InChI=1/C13H13NO4/c1-8-11(13(15)18-14-8)7-9-6-10(16-2)4-5-12(9)17-3/h4-7H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,16,12,13,10,8,2,9,11,7,14,5,3,6,17,15,4/rA:18nCCNOCOCCCCCCCCOCOC/rB:s1;d2;s3;s4;d5;s2s5;w7;s8;s9;d10;s11;d12;d9s13;s14;s15;s11;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13NO4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.07016
Area:416.926
Solvation:-4.35299
Coulombic:-29.5359
Bond Count [?]
All:19
Single:13
Double:6
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:247.247
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.29
LogP (Chemaxon):2.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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