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Chemical ID: 4575078
Chemical ID:
4575078
Name [?]:
2-amino-3-(4-hydroxy-2-methyl-phenyl)-propanoic acid
SMILES [?]:
Cc1cc(ccc1CC(C(=O)O)N)O
InChi [?]:
InChI=1/C10H13NO3/c1-6-4-8(12)3-2-7(6)5-9(11)10(13)14/h2-4,9,12H,5,11H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,6,5,3,8,2,7,4,9,10,13,14,11,12/E:(13,14)/rA:14cCCCCCCCCCCOONO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s9;s4;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13NO3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.31281 |
Area: | 365.446 |
Solvation: | -2.82335 |
Coulombic: | -55.284 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 195.215 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | -1.35 |
LogP (Chemaxon): | -0.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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