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13086-84-5 | Phosphonic acid, bis(1,1-dimethylethyl) ester
CAS No: 13086-84-5 Catalog No: AG000V16 MDL No:MFCD00995019
Product Description
Catalog Number:
AG000V16
Chemical Name:
Phosphonic acid, bis(1,1-dimethylethyl) ester
CAS Number:
13086-84-5
Molecular Formula:
C8H19O3P
Molecular Weight:
194.2084
MDL Number:
MFCD00995019
IUPAC Name:
ditert-butyl hydrogen phosphite
InChI:
InChI=1S/C8H19O3P/c1-7(2,3)10-12(9)11-8(4,5)6/h9H,1-6H3
InChI Key:
RRJHOMPUEYYASJ-UHFFFAOYSA-N
SMILES:
CC(OP(=O)OC(C)(C)C)(C)C
EC Number:
235-996-8
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.107g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.211g/mol
Monoisotopic Mass:
194.107g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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