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892874-24-7 | [1-(2-Hydroxy-ethyl)-2,2-dimethyl-propyl]-carbamic acid tert-butyl ester
CAS No: 892874-24-7 Catalog No: AG0040ZM MDL No:
Product Description
Catalog Number:
AG0040ZM
Chemical Name:
[1-(2-Hydroxy-ethyl)-2,2-dimethyl-propyl]-carbamic acid tert-butyl ester
CAS Number:
892874-24-7
Molecular Formula:
C12H25NO3
Molecular Weight:
231.3318
IUPAC Name:
tert-butyl N-(1-hydroxy-4,4-dimethylpentan-3-yl)carbamate
InChI:
InChI=1S/C12H25NO3/c1-11(2,3)9(7-8-14)13-10(15)16-12(4,5)6/h9,14H,7-8H2,1-6H3,(H,13,15)
InChI Key:
GWNITSXTIFUCSM-UHFFFAOYSA-N
SMILES:
OCCC(C(C)(C)C)NC(=O)OC(C)(C)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.183g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.336g/mol
Monoisotopic Mass:
231.183g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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