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55741-01-0 | 2-((Dimethylamino)methyl)benzoic acid
CAS No: 55741-01-0 Catalog No: AG003G85 MDL No:MFCD08060610
Product Description
Catalog Number:
AG003G85
Chemical Name:
2-((Dimethylamino)methyl)benzoic acid
CAS Number:
55741-01-0
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD08060610
IUPAC Name:
2-[(dimethylamino)methyl]benzoic acid
InChI:
InChI=1S/C10H13NO2/c1-11(2)7-8-5-3-4-6-9(8)10(12)13/h3-6H,7H2,1-2H3,(H,12,13)
InChI Key:
WBMZATHVOXPWMU-UHFFFAOYSA-N
SMILES:
CN(Cc1ccccc1C(=O)O)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:
1
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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