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Chemical ID: 6689311
Chemical ID:
6689311
Name [?]:
methyl 2-amino-2-(4-hydroxyphenyl)-acetate
SMILES [?]:
COC(=O)C(c1ccc(cc1)O)N
InChi [?]:
InChI=1/C9H11NO3/c1-13-9(12)8(10)6-2-4-7(11)5-3-6/h2-5,8,11H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,11,8,10,6,9,5,3,13,12,4,2/E:(2,3)(4,5)/rA:13cCOCOCCCCCCCON/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;s5;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H11NO3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.8029 |
Area: | 351.693 |
Solvation: | -2.98942 |
Coulombic: | -47.9298 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 181.189 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.31 |
LogP (Chemaxon): | 0.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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