Chemical ID: 4115722

Cc1cccc(c1)CC(=O)O
Chemical ID:
4115722
Name [?]:
2-(m-tolyl)acetic acid
SMILES [?]:
Cc1cccc(c1)CC(=O)O
InChi [?]:
InChI=1/C9H10O2/c1-7-3-2-4-8(5-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,7,8,2,6,9,10,11/E:(10,11)/rA:11nCCCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.90046
Area:315.638
Solvation:-1.99049
Coulombic:-26.8408
Bond Count [?]
All:11
Single:7
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:150.174
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.89
LogP (Chemaxon):2.14

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Descriptor Annotations

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