Chemical ID: 4952649

COC(=O)c1ccc(c(c1)N)O
Chemical ID:
4952649
Name [?]:
methyl 3-amino-4-hydroxy-benzoate
SMILES [?]:
COC(=O)c1ccc(c(c1)N)O
InChi [?]:
InChI=1/C8H9NO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,7,10,5,9,8,3,11,12,4,2/rA:12nCOCOCCCCCCNO/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s9;s8;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H9NO3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.76753
Area:330.812
Solvation:-2.50278
Coulombic:-52.2002
Bond Count [?]
All:12
Single:8
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:167.162
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:1.16
LogP (Chemaxon):0.53

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Experimental Annotations

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Descriptor Annotations

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