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101012-84-4 | Phosphoric acid, mono(2-methylpropyl) ester, diammonium salt (9CI)
CAS No: 101012-84-4 Catalog No: AG0003JB MDL No:
Product Description
Catalog Number:
AG0003JB
Chemical Name:
Phosphoric acid, mono(2-methylpropyl) ester, diammonium salt (9CI)
CAS Number:
101012-84-4
Molecular Formula:
C4H17N2O4P
Molecular Weight:
188.1625
IUPAC Name:
diazanium;2-methylpropoxy-oxido-oxophosphanium
InChI:
InChI=1S/2C4H9O3P.2H3N/c2*1-4(2)3-7-8(5)6;;/h2*4H,3H2,1-2H3;2*1H3/p+2
InChI Key:
QCFYTAASFGCUFL-UHFFFAOYSA-P
SMILES:
CC(COP(=O)([O-])[O-])C.[NH4+].[NH4+]
Properties
Complexity:
75.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.127g/mol
Formal Charge:
2
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
308.252g/mol
Monoisotopic Mass:
308.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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