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125674-71-7 | Phosphinic acid, (4,5-dihydro-3-phenyl-5-isoxazolyl)-1-pyrrolidinyl-, ethyl ester (9CI)
CAS No: 125674-71-7 Catalog No: AG000OC0 MDL No:
Product Description
Catalog Number:
AG000OC0
Chemical Name:
Phosphinic acid, (4,5-dihydro-3-phenyl-5-isoxazolyl)-1-pyrrolidinyl-, ethyl ester (9CI)
CAS Number:
125674-71-7
Molecular Formula:
C15H21N2O3P
Molecular Weight:
308.3126
IUPAC Name:
5-[ethoxy(pyrrolidin-1-yl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole
InChI:
InChI=1S/C15H21N2O3P/c1-2-19-21(18,17-10-6-7-11-17)15-12-14(16-20-15)13-8-4-3-5-9-13/h3-5,8-9,15H,2,6-7,10-12H2,1H3
InChI Key:
FIEZHSAXRNPCQA-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C1ON=C(C1)c1ccccc1)N1CCCC1
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.129g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.318g/mol
Monoisotopic Mass:
308.129g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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