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89561-53-5 | Phosphonic acid, (1-methoxy-1-phenylethyl)-
CAS No: 89561-53-5 Catalog No: AG003Y9A MDL No:
Product Description
Catalog Number:
AG003Y9A
Chemical Name:
Phosphonic acid, (1-methoxy-1-phenylethyl)-
CAS Number:
89561-53-5
Molecular Formula:
C9H13O4P
Molecular Weight:
216.1709
IUPAC Name:
(1-methoxy-1-phenylethyl)phosphonic acid
InChI:
InChI=1S/C9H13O4P/c1-9(13-2,14(10,11)12)8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,10,11,12)
InChI Key:
CGZYDJWJRRTEIK-UHFFFAOYSA-N
SMILES:
COC(P(=O)(O)O)(c1ccccc1)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.055g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.173g/mol
Monoisotopic Mass:
216.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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