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141519-38-2 | 2-Propenoic acid, 3-(3-thienyl)-, 1,1-dimethylethyl ester
CAS No: 141519-38-2 Catalog No: AG001GIU MDL No:
Product Description
Catalog Number:
AG001GIU
Chemical Name:
2-Propenoic acid, 3-(3-thienyl)-, 1,1-dimethylethyl ester
CAS Number:
141519-38-2
Molecular Formula:
C11H14O2S
Molecular Weight:
210.2927
IUPAC Name:
tert-butyl 3-thiophen-3-ylprop-2-enoate
InChI:
InChI=1S/C11H14O2S/c1-11(2,3)13-10(12)5-4-9-6-7-14-8-9/h4-8H,1-3H3
InChI Key:
GILTYFLSIJXGFL-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)C=Cc1cscc1
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.071g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.291g/mol
Monoisotopic Mass:
210.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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