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161513-47-9 | Carbamic acid, N-[(2S)-2-oxiranylmethyl]-, 1,1-dimethylethyl ester
CAS No: 161513-47-9 Catalog No: AG001VMY MDL No:
Product Description
Catalog Number:
AG001VMY
Chemical Name:
Carbamic acid, N-[(2S)-2-oxiranylmethyl]-, 1,1-dimethylethyl ester
CAS Number:
161513-47-9
Molecular Formula:
C8H15NO3
Molecular Weight:
173.2096
IUPAC Name:
tert-butyl N-[[(2S)-oxiran-2-yl]methyl]carbamate
InChI:
InChI=1S/C8H15NO3/c1-8(2,3)12-7(10)9-4-6-5-11-6/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1
InChI Key:
ZBBGKXNNTNBRBH-LURJTMIESA-N
SMILES:
O=C(OC(C)(C)C)NC[C@@H]1OC1
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
173.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.212g/mol
Monoisotopic Mass:
173.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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