Chemical ID: 4663013

Cc1c(cccc1N)C(=O)O
Chemical ID:
4663013
Name [?]:
3-amino-2-methyl-benzoic acid
SMILES [?]:
Cc1c(cccc1N)C(=O)O
InChi [?]:
InChI=1/C8H9NO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,9H2,1H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,5,4,6,2,3,7,9,8,10,11/E:(10,11)/rA:11nCCCCCCCNCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H9NO2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.99745
Area:300.553
Solvation:-1.51637
Coulombic:-44.4923
Bond Count [?]
All:11
Single:7
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:151.163
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:1.05
LogP (Chemaxon):0.96

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Descriptor Annotations

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