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1199774-30-5 | Benzoic acid, 3-[2-(methylamino)ethyl]-
CAS No: 1199774-30-5 Catalog No: AG000PY1 MDL No:MFCD13249876
Product Description
Catalog Number:
AG000PY1
Chemical Name:
Benzoic acid, 3-[2-(methylamino)ethyl]-
CAS Number:
1199774-30-5
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD13249876
IUPAC Name:
3-[2-(methylamino)ethyl]benzoic acid
InChI:
InChI=1S/C10H13NO2/c1-11-6-5-8-3-2-4-9(7-8)10(12)13/h2-4,7,11H,5-6H2,1H3,(H,12,13)
InChI Key:
JRZFVFLDOWMUGK-UHFFFAOYSA-N
SMILES:
CNCCc1cccc(c1)C(=O)O
Properties
Complexity:
170
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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