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357404-81-0 | tert-butyl N-[3-oxo-3-(1,3-thiazol-2-yl)propyl]carbamate
CAS No: 357404-81-0 Catalog No: AG00PITN MDL No:MFCD24469811
Product Description
Catalog Number:
AG00PITN
Chemical Name:
tert-butyl N-[3-oxo-3-(1,3-thiazol-2-yl)propyl]carbamate
CAS Number:
357404-81-0
Molecular Formula:
C11H16N2O3S
Molecular Weight:
256.3213
MDL Number:
MFCD24469811
IUPAC Name:
tert-butyl N-[3-oxo-3-(1,3-thiazol-2-yl)propyl]carbamate
InChI:
InChI=1S/C11H16N2O3S/c1-11(2,3)16-10(15)13-5-4-8(14)9-12-6-7-17-9/h6-7H,4-5H2,1-3H3,(H,13,15)
InChI Key:
FUOKCACYESUVQW-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCC(=O)c1nccs1
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.088g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.32g/mol
Monoisotopic Mass:
256.088g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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