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67828-37-9 | METHYL 2,4-DIHYDROXYPHENYLGLYCOLATE
CAS No: 67828-37-9 Catalog No: AG006IWH MDL No:
Product Description
Catalog Number:
AG006IWH
Chemical Name:
METHYL 2,4-DIHYDROXYPHENYLGLYCOLATE
CAS Number:
67828-37-9
Molecular Formula:
C9H10O5
Molecular Weight:
198.1727
IUPAC Name:
methyl 2-(2,4-dihydroxyphenyl)-2-oxoacetate
InChI:
InChI=1S/C9H8O5/c1-14-9(13)8(12)6-3-2-5(10)4-7(6)11/h2-4,10-11H,1H3
InChI Key:
DTTXYTFSERGEPB-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(cc1O)O)O
EC Number:
267-260-7
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.037g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.158g/mol
Monoisotopic Mass:
196.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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