Home Aminos Benzoic acid, 4-(formylamino)-

Benzoic acid, 4-(formylamino)-

CAS No.:
28533-43-9
Catalog Number:
AG002VNO
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG002VNO
Chemical Name:
Benzoic acid, 4-(formylamino)-
CAS Number:
28533-43-9
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
MDL Number:
MFCD00021026
IUPAC Name:
4-formamidobenzoic acid
InChI:
InChI=1S/C8H7NO3/c10-5-9-7-3-1-6(2-4-7)8(11)12/h1-5H,(H,9,10)(H,11,12)
InChI Key:
ZBCGPWAZRMLTKF-UHFFFAOYSA-N
SMILES:
O=CNc1ccc(cc1)C(=O)O
NSC Number:
30096
Properties
Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.043g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
165.148g/mol
Monoisotopic Mass:
165.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
p-Formamidobenzoic acid. Acta crystallographica. Section C, Crystal structure communications 20010101
Properties