Chemical ID: 6623781

CC12C3CCC(C1C(=O)OC2=O)O3
Chemical ID:
6623781
Name [?]:
None
SMILES [?]:
CC12C3CCC(C1C(=O)OC2=O)O3
InChi [?]:
InChI=1/C9H10O4/c1-9-5-3-2-4(12-5)6(9)7(10)13-8(9)11/h4-6H,2-3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,4,6,3,7,8,11,2,9,12,13,10/rA:13cCCCCCCCCOOCOO/rB:s1;s2;s3;s4;s5;s2s6;s7;d8;s8;s2s10;d11;s3s6;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10O4
All Atoms:13
Heavy Atoms:13
Chiral Atoms:4
ZAP Information [?]
Total:4.22775
Area:303.437
Solvation:-3.35818
Coulombic:-33.0637
Bond Count [?]
All:15
Single:13
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:182.173
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:-0.32
LogP (Chemaxon):0.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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