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145361-91-7 | Carbonic acid, 1,1-dimethylethyl 4-formyl-2-methoxyphenyl ester
CAS No: 145361-91-7 Catalog No: AG001KUE MDL No:MFCD00191879
Product Description
Catalog Number:
AG001KUE
Chemical Name:
Carbonic acid, 1,1-dimethylethyl 4-formyl-2-methoxyphenyl ester
CAS Number:
145361-91-7
Molecular Formula:
C13H16O5
Molecular Weight:
252.2631
MDL Number:
MFCD00191879
IUPAC Name:
tert-butyl (4-formyl-2-methoxyphenyl) carbonate
InChI:
InChI=1S/C13H16O5/c1-13(2,3)18-12(15)17-10-6-5-9(8-14)7-11(10)16-4/h5-8H,1-4H3
InChI Key:
QHWDRZQSXVKLON-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)ccc1OC(=O)OC(C)(C)C
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.266g/mol
Monoisotopic Mass:
252.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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