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NISTC4279769

NISTC4279769 structure

CAS No:
4279-76-9
Formula:
C8H6O
Chemical Name:
NISTC4279769
Synonyms:
NISTC4279769;Benzene, (ethynyloxy)-;Ethynyloxybenzene

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NISTC4279769 Basic Attributes

Molecular Weight：

118.13

Exact Mass：

118.041864811 g/mol

DSSTox ID：

DTXSID10195476

Characteristics

PSA：

9.2 Å²

Density：

1.0614

Melting Point：

-36°C

Boiling Point：

180.67°C (rough estimate)

Refractive Index：

1.5125

Computed Properties

Molecular Weight:118.13
XLogP3:2.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:118.041864811
Monoisotopic Mass:118.041864811
Topological Polar Surface Area:9.2
Heavy Atom Count:9
Complexity:114
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of NISTC4279769

Basic Attributes
Characteristics
Computed Properties

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