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209589-20-8 | Carbamic acid, (5-oxazolylmethyl)-, 1,1-dimethylethyl ester (9CI)
CAS No: 209589-20-8 Catalog No: AG002KBD MDL No:MFCD18831362
Product Description
Catalog Number:
AG002KBD
Chemical Name:
Carbamic acid, (5-oxazolylmethyl)-, 1,1-dimethylethyl ester (9CI)
CAS Number:
209589-20-8
Molecular Formula:
C9H14N2O3
Molecular Weight:
198.2191
MDL Number:
MFCD18831362
IUPAC Name:
tert-butyl N-(1,3-oxazol-5-ylmethyl)carbamate
InChI:
InChI=1S/C9H14N2O3/c1-9(2,3)14-8(12)11-5-7-4-10-6-13-7/h4,6H,5H2,1-3H3,(H,11,12)
InChI Key:
FFZWWLDMKYUSQP-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1ocnc1
Properties
Complexity:
201
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:
4
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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