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Home Aminos 1-Methyl 2-aminoterephthalate

1-Methyl 2-aminoterephthalate

CAS No.:
60728-41-8
Catalog Number:
AG003EGP
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$32
- +
5g
97%
In Stock USA
United States
$83
- +
25g
97%
In Stock USA
United States
$275
- +
Product Description
Catalog Number:
AG003EGP
Chemical Name:
1-Methyl 2-aminoterephthalate
CAS Number:
60728-41-8
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD00189374
IUPAC Name:
3-amino-4-methoxycarbonylbenzoic acid
InChI:
InChI=1S/C9H9NO4/c1-14-9(13)6-3-2-5(8(11)12)4-7(6)10/h2-4H,10H2,1H3,(H,11,12)
InChI Key:
QKOKLMFCKLEFDV-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1N)C(=O)O
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Solid-phase synthesis of highly diverse purine-hydroxyquinolinone bisheterocycles. Journal of combinatorial chemistry 20101108
Properties