Chemical ID: 6913700

COC(=O)C1CC12CC2
Chemical ID:
6913700
Name [?]:
methyl spiro[2.2]pentane-2-carboxylate
SMILES [?]:
COC(=O)C1CC12CC2
InChi [?]:
InChI=1/C7H10O2/c1-9-6(8)5-4-7(5)2-3-7/h5H,2-4H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,9,6,5,3,7,4,2/E:(2,3)/rA:9cCOCOCCCCC/rB:s1;s2;d3;s3;s5;s5s6;s7;s7s8;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H10O2
All Atoms:19
Heavy Atoms:9
Chiral Atoms:1
ZAP Information [?]
Total:5.74118
Area:289.924
Solvation:-1.50692
Coulombic:-18.3545
Bond Count [?]
All:10
Single:9
Double:1
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:126.153
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.22
LogP (Chemaxon):0.81

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Experimental Annotations

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Descriptor Annotations

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