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125674-51-3 | Phosphinic acid, [4,5-dihydro-3-(1-naphthalenyl)-5-isoxazolyl]methyl- (9CI)
CAS No: 125674-51-3 Catalog No: AG000OC3 MDL No:
Product Description
Catalog Number:
AG000OC3
Chemical Name:
Phosphinic acid, [4,5-dihydro-3-(1-naphthalenyl)-5-isoxazolyl]methyl- (9CI)
CAS Number:
125674-51-3
Molecular Formula:
C14H14NO3P
Molecular Weight:
275.2396
IUPAC Name:
hydroxy-[(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-oxophosphanium
InChI:
InChI=1S/C14H12NO3P/c16-19(17)9-11-8-14(15-18-11)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11H,8-9H2/p+1
InChI Key:
IARYDQAJNNMASB-UHFFFAOYSA-O
SMILES:
OP(=O)CC1ON=C(C1)c1cccc2c1cccc2
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.063g/mol
Formal Charge:
1
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.236g/mol
Monoisotopic Mass:
274.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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