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165250-87-3 | Benzoic acid, 4-(3-aminophenoxy)-
CAS No: 165250-87-3 Catalog No: AG001W0V MDL No:
Product Description
Catalog Number:
AG001W0V
Chemical Name:
Benzoic acid, 4-(3-aminophenoxy)-
CAS Number:
165250-87-3
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
IUPAC Name:
4-(3-aminophenoxy)benzoic acid
InChI:
InChI=1S/C13H11NO3/c14-10-2-1-3-12(8-10)17-11-6-4-9(5-7-11)13(15)16/h1-8H,14H2,(H,15,16)
InChI Key:
XBSWHOWJHICZQW-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)Oc1ccc(cc1)C(=O)O
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.235g/mol
Monoisotopic Mass:
229.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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