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1200-05-1 | Benzeneacetic acid, 4-(aminomethyl)-
CAS No: 1200-05-1 Catalog No: AG000Q15 MDL No:MFCD04038436
Product Description
Catalog Number:
AG000Q15
Chemical Name:
Benzeneacetic acid, 4-(aminomethyl)-
CAS Number:
1200-05-1
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD04038436
IUPAC Name:
2-[4-(aminomethyl)phenyl]acetic acid
InChI:
InChI=1S/C9H11NO2/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5-6,10H2,(H,11,12)
InChI Key:
HAAUVXXFRQXTTQ-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1)CC(=O)O
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
Literature
| Title | Journal |
|---|---|
| Discovery of 4-aminomethylphenylacetic acids as γ-secretase modulators via a scaffold design approach. | Bioorganic & medicinal chemistry letters 20111215 |
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