Home Carbonyls Benzoic acid, 3-[(methoxycarbonyl)amino]- (9CI)

Benzoic acid, 3-[(methoxycarbonyl)amino]- (9CI)

CAS No.:
209551-66-6
Catalog Number:
AG00BLN1
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00BLN1
Chemical Name:
Benzoic acid, 3-[(methoxycarbonyl)amino]- (9CI)
CAS Number:
209551-66-6
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD00592125
IUPAC Name:
3-(methoxycarbonylamino)benzoic acid
InChI:
InChI=1S/C9H9NO4/c1-14-9(13)10-7-4-2-3-6(5-7)8(11)12/h2-5H,1H3,(H,10,13)(H,11,12)
InChI Key:
RSYCKKXDNGADCU-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1cccc(c1)C(=O)O
Properties
Complexity:
229  
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:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties