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156281-11-7 | Carbonic acid, 1,1-dimethylethyl 4-(hydroxymethyl)phenyl ester
CAS No: 156281-11-7 Catalog No: AG001ON4 MDL No:
Product Description
Catalog Number:
AG001ON4
Chemical Name:
Carbonic acid, 1,1-dimethylethyl 4-(hydroxymethyl)phenyl ester
CAS Number:
156281-11-7
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
IUPAC Name:
tert-butyl [4-(hydroxymethyl)phenyl] carbonate
InChI:
InChI=1S/C12H16O4/c1-12(2,3)16-11(14)15-10-6-4-9(8-13)5-7-10/h4-7,13H,8H2,1-3H3
InChI Key:
BFOWSYHQIDOYPX-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)OC(=O)OC(C)(C)C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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