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89758-98-5 | Phosphonic acid, [hydroxy(4-methylphenyl)methyl]-
CAS No: 89758-98-5 Catalog No: AG0040TI MDL No:
Product Description
Catalog Number:
AG0040TI
Chemical Name:
Phosphonic acid, [hydroxy(4-methylphenyl)methyl]-
CAS Number:
89758-98-5
Molecular Formula:
C8H11O4P
Molecular Weight:
202.1443
IUPAC Name:
[hydroxy-(4-methylphenyl)methyl]phosphonic acid
InChI:
InChI=1S/C8H11O4P/c1-6-2-4-7(5-3-6)8(9)13(10,11)12/h2-5,8-9H,1H3,(H2,10,11,12)
InChI Key:
AFOAUCXHAIELNA-UHFFFAOYSA-N
SMILES:
OC(P(=O)(O)O)c1ccc(cc1)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.039g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
202.146g/mol
Monoisotopic Mass:
202.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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