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84540-48-7 | Acetic acid,2-(2,4-diaminophenoxy)-
CAS No: 84540-48-7 Catalog No: AG004RAF MDL No:
Product Description
Catalog Number:
AG004RAF
Chemical Name:
Acetic acid,2-(2,4-diaminophenoxy)-
CAS Number:
84540-48-7
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
IUPAC Name:
2-(2,4-diaminophenoxy)acetic acid
InChI:
InChI=1S/C8H10N2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4,9-10H2,(H,11,12)
InChI Key:
UEANEAODIZOETQ-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(cc1N)N
EC Number:
283-142-8
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
182.179g/mol
Monoisotopic Mass:
182.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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