Chemical ID: 5049550

CCCOC(=O)C1CC=CCC1C(=O)O
Chemical ID:
5049550
Name [?]:
6-propoxycarbonylcyclohex-3-ene-1-carboxylic acid
SMILES [?]:
CCCOC(=O)C1CC=CCC1C(=O)O
InChi [?]:
InChI=1/C11H16O4/c1-2-7-15-11(14)9-6-4-3-5-8(9)10(12)13/h3-4,8-9H,2,5-7H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,10,9,11,8,3,12,7,13,5,14,15,6,4/E:(12,13)/rA:15cCCCOCOCCCCCCCOO/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;s7s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16O4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:2
ZAP Information [?]
Total:6.70155
Area:383.162
Solvation:-2.8775
Coulombic:-44.5537
Bond Count [?]
All:15
Single:12
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:212.242
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.26
LogP (Chemaxon):1.62

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