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84666-41-1 | Benzoic acid, 2-hydroxy-4-(2-propynyloxy)-, methyl ester
CAS No: 84666-41-1 Catalog No: AG004SZB MDL No:
Product Description
Catalog Number:
AG004SZB
Chemical Name:
Benzoic acid, 2-hydroxy-4-(2-propynyloxy)-, methyl ester
CAS Number:
84666-41-1
Molecular Formula:
C11H10O4
Molecular Weight:
206.1947
IUPAC Name:
methyl 2-hydroxy-4-prop-2-ynoxybenzoate
InChI:
InChI=1S/C11H10O4/c1-3-6-15-8-4-5-9(10(12)7-8)11(13)14-2/h1,4-5,7,12H,6H2,2H3
InChI Key:
MUOXLIQHDGRLBS-UHFFFAOYSA-N
SMILES:
C#CCOc1ccc(c(c1)O)C(=O)OC
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.197g/mol
Monoisotopic Mass:
206.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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