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102090-59-5 | Carbamic acid, [2-hydroxy-2-(2-thienyl)ethyl]-, 1,1-dimethylethyl ester (9CI)
CAS No: 102090-59-5 Catalog No: AG0006LP MDL No:
Product Description
Catalog Number:
AG0006LP
Chemical Name:
Carbamic acid, [2-hydroxy-2-(2-thienyl)ethyl]-, 1,1-dimethylethyl ester (9CI)
CAS Number:
102090-59-5
Molecular Formula:
C11H17NO3S
Molecular Weight:
243.3226
IUPAC Name:
tert-butyl N-(2-hydroxy-2-thiophen-2-ylethyl)carbamate
InChI:
InChI=1S/C11H17NO3S/c1-11(2,3)15-10(14)12-7-8(13)9-5-4-6-16-9/h4-6,8,13H,7H2,1-3H3,(H,12,14)
InChI Key:
CQGRIRKQEHAFIP-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC(c1cccs1)O
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.093g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.321g/mol
Monoisotopic Mass:
243.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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