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115319-77-2 | Benzoic acid, 3-hydroxy-2-methoxy-6-(methoxymethyl)-
CAS No: 115319-77-2 Catalog No: AG000GLP MDL No:
Product Description
Catalog Number:
AG000GLP
Chemical Name:
Benzoic acid, 3-hydroxy-2-methoxy-6-(methoxymethyl)-
CAS Number:
115319-77-2
Molecular Formula:
C10H12O5
Molecular Weight:
212.1993
IUPAC Name:
3-hydroxy-2-methoxy-6-(methoxymethyl)benzoic acid
InChI:
InChI=1S/C10H12O5/c1-14-5-6-3-4-7(11)9(15-2)8(6)10(12)13/h3-4,11H,5H2,1-2H3,(H,12,13)
InChI Key:
FYZOUMKYAQHYNS-UHFFFAOYSA-N
SMILES:
COCc1ccc(c(c1C(=O)O)OC)O
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.068g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.201g/mol
Monoisotopic Mass:
212.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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