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79014-69-0 | Phosphonic acid, (1-amino-1-phenylethyl)-
CAS No: 79014-69-0 Catalog No: AG0054HJ MDL No:
Product Description
Catalog Number:
AG0054HJ
Chemical Name:
Phosphonic acid, (1-amino-1-phenylethyl)-
CAS Number:
79014-69-0
Molecular Formula:
C8H12NO3P
Molecular Weight:
201.1595
IUPAC Name:
(1-amino-1-phenylethyl)phosphonic acid
InChI:
InChI=1S/C8H12NO3P/c1-8(9,13(10,11)12)7-5-3-2-4-6-7/h2-6H,9H2,1H3,(H2,10,11,12)
InChI Key:
FWXVKXCQHFDWHU-UHFFFAOYSA-N
SMILES:
CC(P(=O)(O)O)(c1ccccc1)N
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.055g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
201.162g/mol
Monoisotopic Mass:
201.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
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