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Chemical ID: 4255834
Chemical ID:
4255834
Name [?]:
4-(1-cyclopent-2-enyl)phenol
SMILES [?]:
c1cc(ccc1C2CCC=C2)O
InChi [?]:
InChI=1/C11H12O/c12-11-7-5-10(6-8-11)9-3-1-2-4-9/h1,3,5-9,12H,2,4H2
InChi Info:
AuxInfo=1/0/N:10,9,11,8,1,5,2,4,7,6,3,12/E:(5,6)(7,8)/rA:12cCCCCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s7d10;s3;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.74746 |
Area: | 327.304 |
Solvation: | -1.43514 |
Coulombic: | -18.7426 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 160.212 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.41 |
LogP (Chemaxon): | 2.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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