Chemical ID: 4698718

CC1=C(CC(=C(C1)C(=O)O)C(=O)O)C
Chemical ID:
4698718
Name [?]:
4,5-dimethylcyclohexa-1,4-diene-1,2-dicarboxylic acid
SMILES [?]:
CC1=C(CC(=C(C1)C(=O)O)C(=O)O)C
InChi [?]:
InChI=1/C10H12O4/c1-5-3-7(9(11)12)8(10(13)14)4-6(5)2/h3-4H2,1-2H3,(H,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,14,7,4,2,3,6,5,8,11,9,10,12,13/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12,13,14)/gE:(1,2)/rA:14nCCCCCCCCOOCOOC/rB:s1;d2;s3;s4;d5;s2s6;s6;d8;s8;s5;d11;s11;s3;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12O4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.26274
Area:354.528
Solvation:-2.60047
Coulombic:-53.3055
Bond Count [?]
All:14
Single:10
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:196.2
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.45
LogP (Chemaxon):0.93

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