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7188-16-1 | Ammonium Salt
CAS No: 7188-16-1 Catalog No: AG003NVJ MDL No:
Product Description
Catalog Number:
AG003NVJ
Chemical Name:
Ammonium Salt
CAS Number:
7188-16-1
Molecular Formula:
C8H12NO2+
Molecular Weight:
154.1864
IUPAC Name:
azanium;2-phenylacetate
InChI:
InChI=1S/C8H8O2.H3N/c9-8(10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);1H3
InChI Key:
PQILKFQDIYPBKI-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccccc1.[NH4+]
EC Number:
230-551-4
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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