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114019-85-1 | Phosphoric acid, triethyl ester, hydrate (2:1)
CAS No: 114019-85-1 Catalog No: AG000AB5 MDL No:
Product Description
Catalog Number:
AG000AB5
Chemical Name:
Phosphoric acid, triethyl ester, hydrate (2:1)
CAS Number:
114019-85-1
Molecular Formula:
C12H32O9P2
Molecular Weight:
382.3246
IUPAC Name:
triethyl phosphate;hydrate
InChI:
InChI=1S/2C6H15O4P.H2O/c2*1-4-8-11(7,9-5-2)10-6-3;/h2*4-6H2,1-3H3;1H2
InChI Key:
VHPOTZJVFPUILN-UHFFFAOYSA-N
SMILES:
CCOP(=O)(OCC)OCC.CCOP(=O)(OCC)OCC.O
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.152g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
382.327g/mol
Monoisotopic Mass:
382.152g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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