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4389-45-1 | 2-Amino-3-methylbenzoic acid
CAS No: 4389-45-1 Catalog No: AG003GDQ MDL No:MFCD00007745
Product Description
Catalog Number:
AG003GDQ
Chemical Name:
2-Amino-3-methylbenzoic acid
CAS Number:
4389-45-1
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
MDL Number:
MFCD00007745
IUPAC Name:
2-amino-3-methylbenzoic acid
InChI:
InChI=1S/C8H9NO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,9H2,1H3,(H,10,11)
InChI Key:
WNAJXPYVTFYEST-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1N)C
EC Number:
224-505-2
UNII:
8RGX6SQE9N
NSC Number:
16049
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Agonists of the follicle stimulating hormone receptor from an encoded thiazolidinone library. | Journal of combinatorial chemistry 20040101 |
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