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101506-39-2 | Carbamic acid, N-octyl-, 1,1-dimethylethyl ester
CAS No: 101506-39-2 Catalog No: AG0004NO MDL No:
Product Description
Catalog Number:
AG0004NO
Chemical Name:
Carbamic acid, N-octyl-, 1,1-dimethylethyl ester
CAS Number:
101506-39-2
Molecular Formula:
C13H27NO2
Molecular Weight:
229.3590
IUPAC Name:
tert-butyl N-octylcarbamate
InChI:
InChI=1S/C13H27NO2/c1-5-6-7-8-9-10-11-14-12(15)16-13(2,3)4/h5-11H2,1-4H3,(H,14,15)
InChI Key:
WFNSSRVVNZGTTR-UHFFFAOYSA-N
SMILES:
CCCCCCCCNC(=O)OC(C)(C)C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.204g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.364g/mol
Monoisotopic Mass:
229.204g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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