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141933-77-9 | Phenol, (1,1-dimethylethyl)-, phosphate (9CI)
CAS No: 141933-77-9 Catalog No: AG001HF2 MDL No:
Product Description
Catalog Number:
AG001HF2
Chemical Name:
Phenol, (1,1-dimethylethyl)-, phosphate (9CI)
CAS Number:
141933-77-9
Molecular Formula:
C10H15O4P
Molecular Weight:
230.1975
IUPAC Name:
2-tert-butylphenol;phosphoric acid
InChI:
InChI=1S/C10H14O.H3O4P/c1-10(2,3)8-6-4-5-7-9(8)11;1-5(2,3)4/h4-7,11H,1-3H3;(H3,1,2,3,4)
InChI Key:
QZKHYKJSMWEMFI-UHFFFAOYSA-N
SMILES:
OP(=O)(Oc1ccccc1C(C)(C)C)O
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.081g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
248.215g/mol
Monoisotopic Mass:
248.081g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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