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20610-77-9 | Phenol, 4-amino-, 1-(4-aminobenzoate)
CAS No: 20610-77-9 Catalog No: AG002AIS MDL No:MFCD16038468
Product Description
Catalog Number:
AG002AIS
Chemical Name:
Phenol, 4-amino-, 1-(4-aminobenzoate)
CAS Number:
20610-77-9
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
MDL Number:
MFCD16038468
IUPAC Name:
(4-aminophenyl) 4-aminobenzoate
InChI:
InChI=1S/C13H12N2O2/c14-10-3-1-9(2-4-10)13(16)17-12-7-5-11(15)6-8-12/h1-8H,14-15H2
InChI Key:
LOCTYHIHNCOYJZ-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)OC(=O)c1ccc(cc1)N
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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