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Chemical ID: 4963624
Chemical ID:
4963624
Name [?]:
4-aziridin-1-yl-2-hydroxy-benzoic acid
SMILES [?]:
c1cc(c(cc1N2CC2)O)C(=O)O
InChi [?]:
InChI=1/C9H9NO3/c11-8-5-6(10-3-4-10)1-2-7(8)9(12)13/h1-2,5,11H,3-4H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,8,9,5,6,3,4,11,7,10,12,13/E:(3,4)(12,13)/rA:13nCCCCCCNCCOCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s7s8;s4;s3;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H9NO3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.06433 |
Area: | 335.162 |
Solvation: | -3.31473 |
Coulombic: | -48.5819 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 179.173 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.43 |
LogP (Chemaxon): | 2.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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