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15026-16-1 | Butanedioic acid, 1-(1,1-dimethylethyl) 4-(phenylmethyl) ester
CAS No: 15026-16-1 Catalog No: AG001MGB MDL No:
Product Description
Catalog Number:
AG001MGB
Chemical Name:
Butanedioic acid, 1-(1,1-dimethylethyl) 4-(phenylmethyl) ester
CAS Number:
15026-16-1
Molecular Formula:
C15H20O4
Molecular Weight:
264.3169
IUPAC Name:
1-O-benzyl 4-O-tert-butyl butanedioate
InChI:
InChI=1S/C15H20O4/c1-15(2,3)19-14(17)10-9-13(16)18-11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChI Key:
OPRQAMLOCBVGLW-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1)CCC(=O)OC(C)(C)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.321g/mol
Monoisotopic Mass:
264.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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