Chemical ID: 3969650

COc1cccc(c1)O
Chemical ID:
3969650
Name [?]:
3-methoxyphenol
SMILES [?]:
COc1cccc(c1)O
InChi [?]:
InChI=1/C7H8O2/c1-9-7-4-2-3-6(8)5-7/h2-5,8H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,4,8,7,3,9,2/rA:9nCOCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H8O2
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:4.1446
Area:273.363
Solvation:-2.68948
Coulombic:-23.666
Bond Count [?]
All:9
Single:6
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:124.137
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.53
LogP (Chemaxon):1.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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