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23023-83-8 | 2,4,6-Cycloheptatrien-1-one, 3-(dimethylamino)-
CAS No: 23023-83-8 Catalog No: AG002LXB MDL No:
Product Description
Catalog Number:
AG002LXB
Chemical Name:
2,4,6-Cycloheptatrien-1-one, 3-(dimethylamino)-
CAS Number:
23023-83-8
Molecular Formula:
C9H11NO
Molecular Weight:
149.1897
IUPAC Name:
3-(dimethylamino)cyclohepta-2,4,6-trien-1-one
InChI:
InChI=1S/C9H11NO/c1-10(2)8-5-3-4-6-9(11)7-8/h3-7H,1-2H3
InChI Key:
JDNLIKHZHXBQDX-UHFFFAOYSA-N
SMILES:
O=c1ccccc(c1)N(C)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.193g/mol
Monoisotopic Mass:
149.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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