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88336-60-1 | Cyclobuta[a]naphthalen-2(1H)-one, 2a,3,4,8b-tetrahydro-
CAS No: 88336-60-1 Catalog No: AG0046PO MDL No:MFCD24104337
Product Description
Catalog Number:
AG0046PO
Chemical Name:
Cyclobuta[a]naphthalen-2(1H)-one, 2a,3,4,8b-tetrahydro-
CAS Number:
88336-60-1
Molecular Formula:
C12H12O
Molecular Weight:
172.2231
MDL Number:
MFCD24104337
IUPAC Name:
2a,3,4,8b-tetrahydro-1H-cyclobuta[a]naphthalen-2-one
InChI:
InChI=1S/C12H12O/c13-12-7-11-9-4-2-1-3-8(9)5-6-10(11)12/h1-4,10-11H,5-7H2
InChI Key:
BYKZLZZQKCGXSW-UHFFFAOYSA-N
SMILES:
O=C1CC2C1CCc1c2cccc1
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.089g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.227g/mol
Monoisotopic Mass:
172.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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