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1512637-49-8 | 2-Thiophenepropanoic acid, 5-[(1,1-dimethylethoxy)carbonyl]-α,α-dimethyl-, methyl ester
CAS No: 1512637-49-8 Catalog No: AG001N71 MDL No:
Product Description
Catalog Number:
AG001N71
Chemical Name:
2-Thiophenepropanoic acid, 5-[(1,1-dimethylethoxy)carbonyl]-α,α-dimethyl-, methyl ester
CAS Number:
1512637-49-8
Molecular Formula:
C15H22O4S
Molecular Weight:
298.3978
IUPAC Name:
tert-butyl 5-(3-methoxy-2,2-dimethyl-3-oxopropyl)thiophene-2-carboxylate
InChI:
InChI=1S/C15H22O4S/c1-14(2,3)19-12(16)11-8-7-10(20-11)9-15(4,5)13(17)18-6/h7-8H,9H2,1-6H3
InChI Key:
MBQCQBNCUQVCNP-UHFFFAOYSA-N
SMILES:
COC(=O)C(Cc1ccc(s1)C(=O)OC(C)(C)C)(C)C
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.124g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.397g/mol
Monoisotopic Mass:
298.124g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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