Chemical ID: 4914423

c1cc2c3c(co2)CCCc3c1O
Chemical ID:
4914423
Name [?]:
None
SMILES [?]:
c1cc2c3c(co2)CCCc3c1O
InChi [?]:
InChI=1/C11H10O2/c12-9-4-5-10-11-7(6-13-10)2-1-3-8(9)11/h4-6,12H,1-3H2
InChi Info:
AuxInfo=1/0/N:9,8,10,1,2,6,5,11,12,3,4,13,7/rA:13nCCCCCCOCCCCCO/rB:s1;d2;s3;s4;d5;s3s6;s5;s8;s9;d4s10;d1s11;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.53963
Area:314.845
Solvation:-2.33149
Coulombic:-23.1873
Bond Count [?]
All:15
Single:11
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:174.196
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.05
LogP (Chemaxon):3.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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