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5,9-Methano-6,7,8,9-tetrahydro-5H-benzocycloheptene-7-one

5,9-Methano-6,7,8,9-tetrahydro-5H-benzocycloheptene-7-one structure

CAS No:
13351-26-3
Formula:
C12H12O
Chemical Name:
5,9-Methano-6,7,8,9-tetrahydro-5H-benzocycloheptene-7-one
Synonyms:
5,6,8,9-Tetrahydro-5,9-methano-7H-benzocyclohepten-7-one;5,9-Methano-6,7,8,9-tetrahydro-5H-benzocycloheptene-7-one;Tricyclo[6.3.1.02,7]dodeca-2,4,6-triene-10-one;Tricyclo[6.3.1.02,7]dodecane-2,4,6-triene-10-one;5,9-Methano-6,7,8,9-tetrahydro-7H-benzocycloheptene-7-one;8,9-dihydro-5H-5,9-methanobenzo[7]annulen-7(6H)-one;Benzo[6,7]bicyclo[3.2.1]oct-6-en-3-one;Tricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one

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5,9-Methano-6,7,8,9-tetrahydro-5H-benzocycloheptene-7-one Basic Attributes

Molecular Weight：

172.22

Exact Mass：

172.088815002

EC Number：

604-604-1

DSSTox ID：

DTXSID10509897

Characteristics

Density：

1.153

Melting Point：

63.5-65 °C(Solv: pentane (109-66-0))

Boiling Point：

307.2±31.0 °C(Predicted)

Computed Properties

Molecular Weight:172.22
XLogP3:1.8
Hydrogen Bond Acceptor Count:1
Exact Mass:172.088815002
Monoisotopic Mass:172.088815002
Topological Polar Surface Area:17.1
Heavy Atom Count:13
Complexity:211
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5,9-Methano-6,7,8,9-tetrahydro-5H-benzocycloheptene-7-one

Basic Attributes
Characteristics
Computed Properties

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