Home Carbonyls 4-Amino-3-(methoxycarbonyl)benzoic acid

4-Amino-3-(methoxycarbonyl)benzoic acid

CAS No.:
41684-07-5
Catalog Number:
AG0071F4
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
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Product Description
Catalog Number:
AG0071F4
Chemical Name:
4-Amino-3-(methoxycarbonyl)benzoic acid
CAS Number:
41684-07-5
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD11845550
IUPAC Name:
4-amino-3-methoxycarbonylbenzoic acid
InChI:
InChI=1S/C9H9NO4/c1-14-9(13)6-4-5(8(11)12)2-3-7(6)10/h2-4H,10H2,1H3,(H,11,12)
InChI Key:
XEOVONVMDYDZRL-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1N)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  
Properties