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5990-94-3 | o-Iodohippuricacidsodiumsaltdihydrate
CAS No: 5990-94-3 Catalog No: AG00EZWS MDL No:MFCD00150600
Product Description
Catalog Number:
AG00EZWS
Chemical Name:
o-Iodohippuricacidsodiumsaltdihydrate
CAS Number:
5990-94-3
MDL Number:
MFCD00150600
IUPAC Name:
sodium;2-[(2-iodobenzoyl)amino]acetate;dihydrate
InChI:
InChI=1S/C9H8INO3.Na.2H2O/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13;;;/h1-4H,5H2,(H,11,14)(H,12,13);;2*1H2/q;+1;;/p-1
InChI Key:
DPJNBVXUJNOEQS-UHFFFAOYSA-M
UNII:
911OMR805P
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.958g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
363.083g/mol
Monoisotopic Mass:
362.958g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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