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23145-60-0 | Benzoic acid, 2-[[(3,4-dimethoxyphenyl)methyl]amino]-
CAS No: 23145-60-0 Catalog No: AG002MCP MDL No:MFCD00125966
Product Description
Catalog Number:
AG002MCP
Chemical Name:
Benzoic acid, 2-[[(3,4-dimethoxyphenyl)methyl]amino]-
CAS Number:
23145-60-0
Molecular Formula:
C16H17NO4
Molecular Weight:
287.3105
MDL Number:
MFCD00125966
IUPAC Name:
2-[(3,4-dimethoxyphenyl)methylamino]benzoic acid
InChI:
InChI=1S/C16H17NO4/c1-20-14-8-7-11(9-15(14)21-2)10-17-13-6-4-3-5-12(13)16(18)19/h3-9,17H,10H2,1-2H3,(H,18,19)
InChI Key:
HCDPUYWUFGXMSQ-UHFFFAOYSA-N
SMILES:
COc1cc(CNc2ccccc2C(=O)O)ccc1OC
NSC Number:
109963
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.315g/mol
Monoisotopic Mass:
287.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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