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Chemical ID: 4736575
Chemical ID:
4736575
Name [?]:
2-amino-4-methyl-benzoic acid
SMILES [?]:
Cc1ccc(c(c1)N)C(=O)O
InChi [?]:
InChI=1/C8H9NO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,9H2,1H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,2,5,6,9,8,10,11/E:(10,11)/rA:11nCCCCCCCNCOO/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H9NO2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.15707 |
Area: | 303.948 |
Solvation: | -1.44163 |
Coulombic: | -44.8739 |
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: | 1.9 |
LogP (Chemaxon): | 1.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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