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121897-60-7 | 2-Cyclohexen-1-one, 2-[(1,1-dimethylethyl)amino]-
CAS No: 121897-60-7 Catalog No: AG0016D1 MDL No:
Product Description
Catalog Number:
AG0016D1
Chemical Name:
2-Cyclohexen-1-one, 2-[(1,1-dimethylethyl)amino]-
CAS Number:
121897-60-7
Molecular Formula:
C10H17NO
Molecular Weight:
167.2481
IUPAC Name:
2-(tert-butylamino)cyclohex-2-en-1-one
InChI:
InChI=1S/C10H17NO/c1-10(2,3)11-8-6-4-5-7-9(8)12/h6,11H,4-5,7H2,1-3H3
InChI Key:
VJOIADYDRYLQQC-UHFFFAOYSA-N
SMILES:
O=C1CCCC=C1NC(C)(C)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.252g/mol
Monoisotopic Mass:
167.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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