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97517-66-3 | tert-Butyl (5-methylisoxazol-3-yl)carbamate
CAS No: 97517-66-3 Catalog No: AG005ZAT MDL No:MFCD11976787
Product Description
Catalog Number:
AG005ZAT
Chemical Name:
tert-Butyl (5-methylisoxazol-3-yl)carbamate
CAS Number:
97517-66-3
Molecular Formula:
C9H14N2O3
Molecular Weight:
198.2191
MDL Number:
MFCD11976787
IUPAC Name:
tert-butyl N-(5-methyl-1,2-oxazol-3-yl)carbamate
InChI:
InChI=1S/C9H14N2O3/c1-6-5-7(11-14-6)10-8(12)13-9(2,3)4/h5H,1-4H3,(H,10,11,12)
InChI Key:
ZDQNLVVSJSRECT-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1noc(c1)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.222g/mol
Monoisotopic Mass:
198.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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