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1,3,4,6-Cycloheptatetraene-1-carboxylicacid,methylester(9CI)

1,3,4,6-Cycloheptatetraene-1-carboxylicacid,methylester(9CI) structure

CAS No:
125587-47-5
Formula:
C9H8O2
Chemical Name:
1,3,4,6-Cycloheptatetraene-1-carboxylicacid,methylester(9CI)
Synonyms:
1,3,4,6-Cycloheptatetraene-1-carboxylicacid,methylester(9CI)

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1,3,4,6-Cycloheptatetraene-1-carboxylicacid,methylester(9CI) Basic Attributes

Molecular Weight：

148.161

Exact Mass：

148.052

DSSTox ID：

DTXSID40666563

Characteristics

PSA：

26.3

XLogP3：

1.5

Density：

1.04±0.1 g/cm3(Predicted)

Boiling Point：

253.1±7.0 °C(Predicted)

Computed Properties

Molecular Weight:148.16
XLogP3:1.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:148.052429494
Monoisotopic Mass:148.052429494
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Complexity:276
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:No

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Guide of 1,3,4,6-Cycloheptatetraene-1-carboxylicacid,methylester(9CI)

Basic Attributes
Characteristics
Computed Properties

1,3,4,6-Cycloheptatetraene-1-carboxylicacid,methylester(9CI)

SDS

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