Chemical ID: 5573927

CC1=Cc2ccccc2C=CC1O
Chemical ID:
5573927
Name [?]:
3-methylbicyclo[5.4.0]undeca-2,5,8,10,12-pentaen-4-ol
SMILES [?]:
CC1=Cc2ccccc2C=CC1O
InChi [?]:
InChI=1/C12H12O/c1-9-8-11-5-3-2-4-10(11)6-7-12(9)13/h2-8,12-13H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,5,10,11,3,2,9,4,12,13/rA:13cCCCCCCCCCCCCO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s9;d10;s2s11;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:6.72415
Area:332.454
Solvation:-1.58719
Coulombic:-19.967
Bond Count [?]
All:14
Single:9
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:172.223
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:1.82
LogP (Chemaxon):2.53

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Descriptor Annotations

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