Chemical ID: 4116238

Cc1cccc(c1C)C(=O)O
Chemical ID:
4116238
Name [?]:
2,3-dimethylbenzoic acid
SMILES [?]:
Cc1cccc(c1C)C(=O)O
InChi [?]:
InChI=1/C9H10O2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,8,4,3,5,2,7,6,9,10,11/E:(10,11)/rA:11nCCCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.35918
Area:303.788
Solvation:-1.23552
Coulombic:-28.9002
Bond Count [?]
All:11
Single:7
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:150.174
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.51
LogP (Chemaxon):2.5

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Experimental Annotations

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Descriptor Annotations

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