Chemical ID: 5114188

c1cc(c2c(c1O)C3CCC2C=C3)O
Chemical ID:
5114188
Name [?]:
None
SMILES [?]:
c1cc(c2c(c1O)C3CCC2C=C3)O
InChi [?]:
InChI=1/C12H12O2/c13-9-5-6-10(14)12-8-2-1-7(3-4-8)11(9)12/h1-2,5-8,13-14H,3-4H2
InChi Info:
AuxInfo=1/0/N:12,13,10,9,2,1,11,8,3,6,4,5,14,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:14cCCCCCCOCCCCCCO/rB:s1;d2;s3;d4;d1s5;s6;s5;s8;s9;s4s10;s11;s8d12;s3;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:2
ZAP Information [?]
Total:5.99699
Area:332.279
Solvation:-2.30999
Coulombic:-33.4935
Bond Count [?]
All:16
Single:12
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:188.222
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:2.2
LogP (Chemaxon):2.6

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