Chemical ID: 6918702

CC(C)(C1Cc2c(ccc3c2oc(=O)cc3)O1)O
Chemical ID:
6918702
Name [?]:
None
SMILES [?]:
CC(C)(C1Cc2c(ccc3c2oc(=O)cc3)O1)O
InChi [?]:
InChI=1/C14H14O4/c1-14(2,16)11-7-9-10(17-11)5-3-8-4-6-12(15)18-13(8)9/h3-6,11,16H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,9,16,8,15,5,10,6,7,4,13,11,2,14,18,17,12/E:(1,2)/rA:18cCCCCCCCCCCCOCOCCOO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;d13;s13;s10d15;s4s7;s2;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14O4
All Atoms:32
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:5.93774
Area:408.829
Solvation:-4.28298
Coulombic:-42.4931
Bond Count [?]
All:20
Single:15
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:246.259
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.74
LogP (Chemaxon):1.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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