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100247-13-0 | Cyclohexaneacetamide, 4-(1,1-dimethylethyl)-
CAS No: 100247-13-0 Catalog No: AG0001DD MDL No:
Product Description
Catalog Number:
AG0001DD
Chemical Name:
Cyclohexaneacetamide, 4-(1,1-dimethylethyl)-
CAS Number:
100247-13-0
Molecular Formula:
C12H23NO
Molecular Weight:
197.3171
IUPAC Name:
2-(4-tert-butylcyclohexyl)acetamide
InChI:
InChI=1S/C12H23NO/c1-12(2,3)10-6-4-9(5-7-10)8-11(13)14/h9-10H,4-8H2,1-3H3,(H2,13,14)
InChI Key:
MMJAPTCUAOYOJF-UHFFFAOYSA-N
SMILES:
NC(=O)CC1CCC(CC1)C(C)(C)C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.178g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.322g/mol
Monoisotopic Mass:
197.178g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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