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865086-37-9 | Carbamic acid, [(1R)-3-oxo-1-(2-thienyl)butyl]-, methyl ester
CAS No: 865086-37-9 Catalog No: AG004M0K MDL No:
Product Description
Catalog Number:
AG004M0K
Chemical Name:
Carbamic acid, [(1R)-3-oxo-1-(2-thienyl)butyl]-, methyl ester
CAS Number:
865086-37-9
Molecular Formula:
C10H13NO3S
Molecular Weight:
227.2801
IUPAC Name:
methyl N-[(1R)-3-oxo-1-thiophen-2-ylbutyl]carbamate
InChI:
InChI=1S/C10H13NO3S/c1-7(12)6-8(11-10(13)14-2)9-4-3-5-15-9/h3-5,8H,6H2,1-2H3,(H,11,13)/t8-/m1/s1
InChI Key:
SGALDTZHNHOFRB-MRVPVSSYSA-N
SMILES:
COC(=O)N[C@@H](c1cccs1)CC(=O)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
227.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.278g/mol
Monoisotopic Mass:
227.062g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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