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125414-41-7 | Carbamic acid, N-[2-hydroxy-1-(hydroxymethyl)ethyl]-, 1,1-dimethylethyl ester
CAS No: 125414-41-7 Catalog No: AG000NNU MDL No:MFCD00270213
Product Description
Catalog Number:
AG000NNU
Chemical Name:
Carbamic acid, N-[2-hydroxy-1-(hydroxymethyl)ethyl]-, 1,1-dimethylethyl ester
CAS Number:
125414-41-7
Molecular Formula:
C8H17NO4
Molecular Weight:
191.2249
MDL Number:
MFCD00270213
IUPAC Name:
tert-butyl N-(1,3-dihydroxypropan-2-yl)carbamate
InChI:
InChI=1S/C8H17NO4/c1-8(2,3)13-7(12)9-6(4-10)5-11/h6,10-11H,4-5H2,1-3H3,(H,9,12)
InChI Key:
JHBKBRLRYPYBLP-UHFFFAOYSA-N
SMILES:
OCC(NC(=O)OC(C)(C)C)CO
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.116g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
191.227g/mol
Monoisotopic Mass:
191.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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