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Chemical ID: 6683849
Chemical ID:
6683849
Name [?]:
2,4-dimethoxy-3-methyl-benzaldehyde
SMILES [?]:
Cc1c(ccc(c1OC)C=O)OC
InChi [?]:
InChI=1/C10H12O3/c1-7-9(12-2)5-4-8(6-11)10(7)13-3/h4-6H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,13,9,5,4,10,2,6,3,7,11,12,8/rA:13nCCCCCCCOCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s6;d10;s3;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12O3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.92614 |
Area: | 344.192 |
Solvation: | -3.67865 |
Coulombic: | -22.1426 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 180.2 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.77 |
LogP (Chemaxon): | 1.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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