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144581-68-0 | Benz[f]azulen-4(1H)-one, 2,3,9,10-tetrahydro-1,1-dimethyl-
CAS No: 144581-68-0 Catalog No: AG001JS2 MDL No:
Product Description
Catalog Number:
AG001JS2
Chemical Name:
Benz[f]azulen-4(1H)-one, 2,3,9,10-tetrahydro-1,1-dimethyl-
CAS Number:
144581-68-0
Molecular Formula:
C16H18O
Molecular Weight:
226.3135
IUPAC Name:
3,3-dimethyl-1,2,4,5-tetrahydrobenzo[f]azulen-10-one
InChI:
InChI=1S/C16H18O/c1-16(2)10-9-13-14(16)8-7-11-5-3-4-6-12(11)15(13)17/h3-6H,7-10H2,1-2H3
InChI Key:
MPJVJKUSTKMAJX-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2CCC2=C1CCC2(C)C
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.319g/mol
Monoisotopic Mass:
226.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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