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64760-73-2 | Phosphonic acid, (1,2,3,4-tetrahydro-1-isoquinolinyl)-
CAS No: 64760-73-2 Catalog No: AG00H7F8 MDL No:
Product Description
Catalog Number:
AG00H7F8
Chemical Name:
Phosphonic acid, (1,2,3,4-tetrahydro-1-isoquinolinyl)-
CAS Number:
64760-73-2
Molecular Formula:
C9H12NO3P
Molecular Weight:
213.1702
IUPAC Name:
1,2,3,4-tetrahydroisoquinolin-1-ylphosphonic acid
InChI:
InChI=1S/C9H12NO3P/c11-14(12,13)9-8-4-2-1-3-7(8)5-6-10-9/h1-4,9-10H,5-6H2,(H2,11,12,13)
InChI Key:
ATFPYFJVFQYJPT-UHFFFAOYSA-N
SMILES:
OP(=O)(C1NCCc2c1cccc2)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.055g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
213.173g/mol
Monoisotopic Mass:
213.055g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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