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143741-94-0 | 2-Butanol, 1-[(acetyloxy)methoxy]-3-methyl-3-(phenylmethoxy)-
CAS No: 143741-94-0 Catalog No: AG001IBA MDL No:
Product Description
Catalog Number:
AG001IBA
Chemical Name:
2-Butanol, 1-[(acetyloxy)methoxy]-3-methyl-3-(phenylmethoxy)-
CAS Number:
143741-94-0
Molecular Formula:
C15H22O5
Molecular Weight:
282.3322
IUPAC Name:
(2-hydroxy-3-methyl-3-phenylmethoxybutoxy)methyl acetate
InChI:
InChI=1S/C15H22O5/c1-12(16)19-11-18-10-14(17)15(2,3)20-9-13-7-5-4-6-8-13/h4-8,14,17H,9-11H2,1-3H3
InChI Key:
XUCZTIVAGSLJDI-UHFFFAOYSA-N
SMILES:
OC(C(OCc1ccccc1)(C)C)COCOC(=O)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.336g/mol
Monoisotopic Mass:
282.147g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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