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87513-63-1 | Benzoic acid, 5-hydroxy-2-methoxy-, methyl ester
CAS No: 87513-63-1 Catalog No: AG004FBJ MDL No:
Product Description
Catalog Number:
AG004FBJ
Chemical Name:
Benzoic acid, 5-hydroxy-2-methoxy-, methyl ester
CAS Number:
87513-63-1
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
IUPAC Name:
methyl 5-hydroxy-2-methoxybenzoate
InChI:
InChI=1S/C9H10O4/c1-12-8-4-3-6(10)5-7(8)9(11)13-2/h3-5,10H,1-2H3
InChI Key:
ZKVWSXCKPJLMRC-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(O)ccc1OC
Properties
Complexity:
181
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:
1
Isotope Atom Count:
0
Molecular Weight:
182.175g/mol
Monoisotopic Mass:
182.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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