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5368-81-0 | Methyl 3-methoxybenzoate
CAS No: 5368-81-0 Catalog No: AG003RST MDL No:MFCD00017193
Product Description
Catalog Number:
AG003RST
Chemical Name:
Methyl 3-methoxybenzoate
CAS Number:
5368-81-0
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
MDL Number:
MFCD00017193
IUPAC Name:
methyl 3-methoxybenzoate
InChI:
InChI=1S/C9H10O3/c1-11-8-5-3-4-7(6-8)9(10)12-2/h3-6H,1-2H3
InChI Key:
DUKYPQBGYRJVAN-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(=O)OC
EC Number:
226-359-5
NSC Number:
100922
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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