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16518-64-2 | Benzoic acid, 3-(dimethylamino)-, methyl ester
CAS No: 16518-64-2 Catalog No: AG001VZV MDL No:MFCD00144731
Product Description
Catalog Number:
AG001VZV
Chemical Name:
Benzoic acid, 3-(dimethylamino)-, methyl ester
CAS Number:
16518-64-2
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD00144731
IUPAC Name:
methyl 3-(dimethylamino)benzoate
InChI:
InChI=1S/C10H13NO2/c1-11(2)9-6-4-5-8(7-9)10(12)13-3/h4-7H,1-3H3
InChI Key:
CABFTHPIDKWPNQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)N(C)C
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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