Home Other Building Blocks Methyl 2,4,6-trihydroxybenzoate

Methyl 2,4,6-trihydroxybenzoate

CAS No.:
3147-39-5
Catalog Number:
AG003RLN
Molecular Formula:
C8H8O5
Molecular Weight:
184.1461
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Product Description
Catalog Number:
AG003RLN
Chemical Name:
Methyl 2,4,6-trihydroxybenzoate
CAS Number:
3147-39-5
Molecular Formula:
C8H8O5
Molecular Weight:
184.1461
MDL Number:
MFCD00013969
IUPAC Name:
methyl 2,4,6-trihydroxybenzoate
InChI:
InChI=1S/C8H8O5/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3,9-11H,1H3
InChI Key:
AQDIJIAUYXOCGX-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(O)cc(cc1O)O
EC Number:
221-566-7
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.037g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
184.147g/mol
Monoisotopic Mass:
184.037g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties