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426837-11-8 | 3-Aminophthalic Acid Hydrochloride Hydrate
CAS No: 426837-11-8 Catalog No: AG01FLKW MDL No:
Product Description
Catalog Number:
AG01FLKW
Chemical Name:
3-Aminophthalic Acid Hydrochloride Hydrate
CAS Number:
426837-11-8
IUPAC Name:
3-aminophthalic acid;hydrate;hydrochloride
InChI:
InChI=1S/C8H7NO4.ClH.H2O/c9-5-3-1-2-4(7(10)11)6(5)8(12)13;;/h1-3H,9H2,(H,10,11)(H,12,13);1H;1H2
InChI Key:
UMNHFFYBDNNQJY-UHFFFAOYSA-N
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.025g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
235.62g/mol
Monoisotopic Mass:
235.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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