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2976-84-3 | Cyclohexanone, 4-(methylamino)-
CAS No: 2976-84-3 Catalog No: AG002ZBN MDL No:
Product Description
Catalog Number:
AG002ZBN
Chemical Name:
Cyclohexanone, 4-(methylamino)-
CAS Number:
2976-84-3
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
IUPAC Name:
4-(methylamino)cyclohexan-1-one
InChI:
InChI=1S/C7H13NO/c1-8-6-2-4-7(9)5-3-6/h6,8H,2-5H2,1H3
InChI Key:
KJIMZXWXSLVBEO-UHFFFAOYSA-N
SMILES:
CNC1CCC(=O)CC1
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.1g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
127.187g/mol
Monoisotopic Mass:
127.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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