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3-Nitro-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-one

3-Nitro-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-one structure

CAS No:
7507-93-9
Formula:
C11H11NO3
Chemical Name:
3-Nitro-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-one
Synonyms:
5H-Benzocyclohepten-5-one,6,7,8,9-tetrahydro-3-nitro-;6,7,8,9-Tetrahydro-3-nitro-5H-benzocyclohepten-5-one;3-Nitrobenzosuberone;3-Nitro-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one;NSC 401448;3-Nitro-6,7,8,9-tetrahydrobenzocyclohepten-5-one;3-Nitro-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-one;3-Nitro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one;3-Nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one

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3-Nitro-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-one Basic Attributes

Molecular Weight：

205.21000

Exact Mass：

205.21

NSC Number：

401448

DSSTox ID：

DTXSID80322510

HScode：

2914700090

Characteristics

PSA：

62.89000

XLogP3：

3.02710

Density：

1.264g/cm3

Melting Point：

92.0-92.8 °C @ Solvent: Ethanol

Boiling Point：

361.8ºC at 760 mmHg

Flash Point：

177.5ºC

Refractive Index：

1.583

Computed Properties

Molecular Weight:205.21
XLogP3:2.4
Hydrogen Bond Acceptor Count:3
Exact Mass:205.07389321
Monoisotopic Mass:205.07389321
Topological Polar Surface Area:62.9
Heavy Atom Count:15
Complexity:272
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Nitro-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-one

Basic Attributes
Characteristics
Computed Properties

3-Nitro-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-one

SDS

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