Chemical ID: 5117413

COc1ccccc1CC=O
Chemical ID:
5117413
Name [?]:
2-(2-methoxyphenyl)acetaldehyde
SMILES [?]:
COc1ccccc1CC=O
InChi [?]:
InChI=1/C9H10O2/c1-11-9-5-3-2-4-8(9)6-7-10/h2-5,7H,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,9,10,8,3,11,2/rA:11nCOCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.12168
Area:316.97
Solvation:-2.80257
Coulombic:-14.8892
Bond Count [?]
All:11
Single:7
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:150.174
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.78
LogP (Chemaxon):1.01

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Descriptor Annotations

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