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100134-03-0 | Phosphonic acid, P-[4-(1,1-dimethylethyl)phenyl]-
CAS No: 100134-03-0 Catalog No: AG00012B MDL No:
Product Description
Catalog Number:
AG00012B
Chemical Name:
Phosphonic acid, P-[4-(1,1-dimethylethyl)phenyl]-
CAS Number:
100134-03-0
Molecular Formula:
C10H15O3P
Molecular Weight:
214.1981
IUPAC Name:
(4-tert-butylphenyl)phosphonic acid
InChI:
InChI=1S/C10H15O3P/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3,(H2,11,12,13)
InChI Key:
SYOFLEWUZXUEKC-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)P(=O)(O)O)(C)C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.076g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.201g/mol
Monoisotopic Mass:
214.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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