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88413-86-9 | 2-Azetidinone, 3,3-dimethyl-4-(1-methylethyl)-1-(2-methylpropyl)-
CAS No: 88413-86-9 Catalog No: AG004EX0 MDL No:
Product Description
Catalog Number:
AG004EX0
Chemical Name:
2-Azetidinone, 3,3-dimethyl-4-(1-methylethyl)-1-(2-methylpropyl)-
CAS Number:
88413-86-9
Molecular Formula:
C12H23NO
Molecular Weight:
197.3171
IUPAC Name:
3,3-dimethyl-1-(2-methylpropyl)-4-propan-2-ylazetidin-2-one
InChI:
InChI=1S/C12H23NO/c1-8(2)7-13-10(9(3)4)12(5,6)11(13)14/h8-10H,7H2,1-6H3
InChI Key:
NADFGEUTXMBPII-UHFFFAOYSA-N
SMILES:
CC(CN1C(=O)C(C1C(C)C)(C)C)C
Properties
Complexity:
231
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:
0
Isotope Atom Count:
0
Molecular Weight:
197.322g/mol
Monoisotopic Mass:
197.178g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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