Chemical ID: 4705940

CC1(OC(=O)C2(Cc3ccccc3C2)C(=O)O1)C
Chemical ID:
4705940
Name [?]:
None
SMILES [?]:
CC1(OC(=O)C2(Cc3ccccc3C2)C(=O)O1)C
InChi [?]:
InChI=1/C14H14O4/c1-13(2)17-11(15)14(12(16)18-13)7-9-5-3-4-6-10(9)8-14/h3-6H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,10,11,9,12,7,14,8,13,4,15,2,6,5,16,3,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(15,16)(17,18)/rA:18nCCOCOCCCCCCCCCCOOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s6s13;s6;d15;s2s15;s2;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14O4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.50879
Area:401.767
Solvation:-2.53539
Coulombic:-37.3357
Bond Count [?]
All:20
Single:15
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:246.259
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.36
LogP (Chemaxon):2.99

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Descriptor Annotations

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