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1363382-11-9 | Carbamic acid, N-[3-(hydroxymethyl)-3-oxetanyl]-, 1,1-dimethylethyl ester
CAS No: 1363382-11-9 Catalog No: AG0011QB MDL No:MFCD22415250
Product Description
Catalog Number:
AG0011QB
Chemical Name:
Carbamic acid, N-[3-(hydroxymethyl)-3-oxetanyl]-, 1,1-dimethylethyl ester
CAS Number:
1363382-11-9
Molecular Formula:
C9H17NO4
Molecular Weight:
203.2356
MDL Number:
MFCD22415250
IUPAC Name:
tert-butyl N-[3-(hydroxymethyl)oxetan-3-yl]carbamate
InChI:
InChI=1S/C9H17NO4/c1-8(2,3)14-7(12)10-9(4-11)5-13-6-9/h11H,4-6H2,1-3H3,(H,10,12)
InChI Key:
IVFJORRHEURGIF-UHFFFAOYSA-N
SMILES:
OCC1(COC1)NC(=O)OC(C)(C)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.238g/mol
Monoisotopic Mass:
203.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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