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125674-79-5 | Phosphinic acid, [3-(1,1-dimethylethyl)-4,5-dihydro-5-isoxazolyl]methyl- (9CI)
CAS No: 125674-79-5 Catalog No: AG000OBX MDL No:MFCD01763414
Product Description
Catalog Number:
AG000OBX
Chemical Name:
Phosphinic acid, [3-(1,1-dimethylethyl)-4,5-dihydro-5-isoxazolyl]methyl- (9CI)
CAS Number:
125674-79-5
Molecular Formula:
C8H16NO3P
Molecular Weight:
205.1913
MDL Number:
MFCD01763414
IUPAC Name:
(3-tert-butyl-4,5-dihydro-1,2-oxazol-5-yl)-methylphosphinic acid
InChI:
InChI=1S/C8H16NO3P/c1-8(2,3)6-5-7(12-9-6)13(4,10)11/h7H,5H2,1-4H3,(H,10,11)
InChI Key:
GXUPUFYVANJJEN-UHFFFAOYSA-N
SMILES:
CC(C1=NOC(C1)CP(=O)O)(C)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.087g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.194g/mol
Monoisotopic Mass:
205.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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