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Chemical ID: 5757617
Chemical ID:
5757617
Name [?]:
4-methoxy-3-(methoxymethyl)benzaldehyde
SMILES [?]:
COCc1cc(ccc1OC)C=O
InChi [?]:
InChI=1/C10H12O3/c1-12-7-9-5-8(6-11)3-4-10(9)13-2/h3-6H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,7,8,5,12,3,6,4,9,13,2,10/rA:13nCOCCCCCCCOCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s6;d12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12O3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.03882 |
Area: | 359.329 |
Solvation: | -3.9444 |
Coulombic: | -23.1036 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 180.2 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.34 |
LogP (Chemaxon): | 1.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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