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147731-05-3 | Phosphonic acid, P-[(S)-hydroxyphenylmethyl]-, bis(1-methylethyl) ester
CAS No: 147731-05-3 Catalog No: AG001F5T MDL No:
Product Description
Catalog Number:
AG001F5T
Chemical Name:
Phosphonic acid, P-[(S)-hydroxyphenylmethyl]-, bis(1-methylethyl) ester
CAS Number:
147731-05-3
Molecular Formula:
C13H21O4P
Molecular Weight:
272.2772
IUPAC Name:
(S)-di(propan-2-yloxy)phosphoryl-phenylmethanol
InChI:
InChI=1S/C13H21O4P/c1-10(2)16-18(15,17-11(3)4)13(14)12-8-6-5-7-9-12/h5-11,13-14H,1-4H3/t13-/m0/s1
InChI Key:
QCHMUMZWEDNROG-ZDUSSCGKSA-N
SMILES:
O[C@@H](P(=O)(OC(C)C)OC(C)C)c1ccccc1
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
272.118g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.281g/mol
Monoisotopic Mass:
272.118g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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