Home Other Building Blocks 9-METHYL-6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-6-ONE

9-METHYL-6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-6-ONE

CAS No.:
206355-74-0
Catalog Number:
AG01DW5O
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
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Product Description
Catalog Number:
AG01DW5O
Chemical Name:
9-METHYL-6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-6-ONE
CAS Number:
206355-74-0
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
MDL Number:
MFCD24709464
IUPAC Name:
9-methyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
InChI:
InChI=1S/C12H14O/c1-9-6-7-11(13)8-10-4-2-3-5-12(9)10/h2-5,9H,6-8H2,1H3
InChI Key:
CJNRGPRRTUIXJT-UHFFFAOYSA-N
SMILES:
O=C1CCC(c2c(C1)cccc2)C
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.104g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.243g/mol
Monoisotopic Mass:
174.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties