Home Carbonyls 3-Amino-5-(methoxycarbonyl)benzoic acid

3-Amino-5-(methoxycarbonyl)benzoic acid

CAS No.:
28179-47-7
Catalog Number:
AG00IMQM
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$155
- +
5g
95%
In Stock USA
United States
$430
- +
Product Description
Catalog Number:
AG00IMQM
Chemical Name:
3-Amino-5-(methoxycarbonyl)benzoic acid
CAS Number:
28179-47-7
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD00224870
IUPAC Name:
3-amino-5-methoxycarbonylbenzoic acid
InChI:
InChI=1S/C9H9NO4/c1-14-9(13)6-2-5(8(11)12)3-7(10)4-6/h2-4H,10H2,1H3,(H,11,12)
InChI Key:
QGGKQIDRZUUHAR-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(N)cc(c1)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:
1.1  
Properties