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10259-22-0 | Benzoic acid, 3-methoxy-, ethyl ester
CAS No: 10259-22-0 Catalog No: AG0007VF MDL No:MFCD00015149
Product Description
Catalog Number:
AG0007VF
Chemical Name:
Benzoic acid, 3-methoxy-, ethyl ester
CAS Number:
10259-22-0
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD00015149
IUPAC Name:
ethyl 3-methoxybenzoate
InChI:
InChI=1S/C10H12O3/c1-3-13-10(11)8-5-4-6-9(7-8)12-2/h4-7H,3H2,1-2H3
InChI Key:
GSQLMBQLTPEPHD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(c1)OC
EC Number:
233-598-9
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| 3-Methoxy-benzohydrazide. | Acta crystallographica. Section E, Structure reports online 20091001 |
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