Home Carbonyls Benzoic acid, 4-(aminocarbonyl)-3-methoxy- (9CI)

Benzoic acid, 4-(aminocarbonyl)-3-methoxy- (9CI)

CAS No.:
773056-89-6
Catalog Number:
AG00GCHG
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
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Product Description
Catalog Number:
AG00GCHG
Chemical Name:
Benzoic acid, 4-(aminocarbonyl)-3-methoxy- (9CI)
CAS Number:
773056-89-6
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD18826085
IUPAC Name:
4-carbamoyl-3-methoxybenzoic acid
InChI:
InChI=1S/C9H9NO4/c1-14-7-4-5(9(12)13)2-3-6(7)8(10)11/h2-4H,1H3,(H2,10,11)(H,12,13)
InChI Key:
HFUFXZZOXPAYBL-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1C(=O)N)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:
4  
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:
0.7  
Properties