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54640-04-9 | Ethyl 2,6-dihydroxybenzoate
CAS No: 54640-04-9 Catalog No: AG003Q2Q MDL No:MFCD03427045
Product Description
Catalog Number:
AG003Q2Q
Chemical Name:
Ethyl 2,6-dihydroxybenzoate
CAS Number:
54640-04-9
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
MDL Number:
MFCD03427045
IUPAC Name:
ethyl 2,6-dihydroxybenzoate
InChI:
InChI=1S/C9H10O4/c1-2-13-9(12)8-6(10)4-3-5-7(8)11/h3-5,10-11H,2H2,1H3
InChI Key:
MIGILBRMELSWJT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(O)cccc1O
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.175g/mol
Monoisotopic Mass:
182.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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