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137258-12-9 | Carbamic acid, N-[1-(hydroxymethyl)pentyl]-, 1,1-dimethylethyl ester
CAS No: 137258-12-9 Catalog No: AG00130C MDL No:
Product Description
Catalog Number:
AG00130C
Chemical Name:
Carbamic acid, N-[1-(hydroxymethyl)pentyl]-, 1,1-dimethylethyl ester
CAS Number:
137258-12-9
Molecular Formula:
C11H23NO3
Molecular Weight:
217.3052
IUPAC Name:
tert-butyl N-(1-hydroxyhexan-2-yl)carbamate
InChI:
InChI=1S/C11H23NO3/c1-5-6-7-9(8-13)12-10(14)15-11(2,3)4/h9,13H,5-8H2,1-4H3,(H,12,14)
InChI Key:
KCKPPJXOWKJHDP-UHFFFAOYSA-N
SMILES:
CCCCC(NC(=O)OC(C)(C)C)CO
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.168g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.309g/mol
Monoisotopic Mass:
217.168g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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