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23076-03-1 | 3-(tert-Butylamino)cyclohex-2-en-1-one
CAS No: 23076-03-1 Catalog No: AG01FCTO MDL No:
Product Description
Catalog Number:
AG01FCTO
Chemical Name:
3-(tert-Butylamino)cyclohex-2-en-1-one
CAS Number:
23076-03-1
Molecular Formula:
C10H17NO
Molecular Weight:
167.2481
IUPAC Name:
3-(tert-butylamino)cyclohex-2-en-1-one
InChI:
InChI=1S/C10H17NO/c1-10(2,3)11-8-5-4-6-9(12)7-8/h7,11H,4-6H2,1-3H3
InChI Key:
XKVYNTMJNQOFOK-UHFFFAOYSA-N
SMILES:
CC(NC1=CC(=O)CCC1)(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:
1.6
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