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87992-90-3 | Phosphonic acid, (1,2,3,4-tetrahydro-1-isoquinolinyl)-, monoethyl ester
CAS No: 87992-90-3 Catalog No: AG008EAR MDL No:
Product Description
Catalog Number:
AG008EAR
Chemical Name:
Phosphonic acid, (1,2,3,4-tetrahydro-1-isoquinolinyl)-, monoethyl ester
CAS Number:
87992-90-3
Molecular Formula:
C11H15NO3P-
Molecular Weight:
240.2155
IUPAC Name:
ethoxy(1,2,3,4-tetrahydroisoquinolin-1-yl)phosphinate
InChI:
InChI=1S/C11H16NO3P/c1-2-15-16(13,14)11-10-6-4-3-5-9(10)7-8-12-11/h3-6,11-12H,2,7-8H2,1H3,(H,13,14)/p-1
InChI Key:
YLTWZHJYRQGWCS-UHFFFAOYSA-M
SMILES:
CCOP(=O)(C1NCCc2c1cccc2)[O-]
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.079g/mol
Formal Charge:
-1
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.219g/mol
Monoisotopic Mass:
240.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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