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Chemical ID: 6131912
Chemical ID:
6131912
Name [?]:
4-(3-methoxyphenyl)benzaldehyde
SMILES [?]:
COc1cccc(c1)c2ccc(cc2)C=O
InChi [?]:
InChI=1/C14H12O2/c1-16-14-4-2-3-13(9-14)12-7-5-11(10-15)6-8-12/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,4,11,13,10,14,8,15,12,9,7,3,16,2/E:(5,6)(7,8)/rA:16nCOCCCCCCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d12;d9s13;s12;d15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.44646 |
Area: | 401.292 |
Solvation: | -3.58585 |
Coulombic: | -16.2492 |
Bond Count [?]
All: | 17 |
Single: | 10 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 212.244 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.57 |
LogP (Chemaxon): | 3.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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