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1199775-41-1 | Benzoic acid, 4-[2-(methylamino)ethyl]-
CAS No: 1199775-41-1 Catalog No: AG000PY0 MDL No:MFCD13249871
Product Description
Catalog Number:
AG000PY0
Chemical Name:
Benzoic acid, 4-[2-(methylamino)ethyl]-
CAS Number:
1199775-41-1
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD13249871
IUPAC Name:
4-[2-(methylamino)ethyl]benzoic acid
InChI:
InChI=1S/C10H13NO2/c1-11-7-6-8-2-4-9(5-3-8)10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13)
InChI Key:
SMIJCBMJCXXSIP-UHFFFAOYSA-N
SMILES:
CNCCc1ccc(cc1)C(=O)O
Properties
Complexity:
162
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:
2
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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