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4-OXOHEPTA-2,5-DIENEDIOICACID

4-OXOHEPTA-2,5-DIENEDIOICACID structure

CAS No:
34911-62-1
Formula:
C7H6O5
Chemical Name:
4-OXOHEPTA-2,5-DIENEDIOICACID
Synonyms:
4-Oxohepta-2;4-OXOHEPTA-2,5-DIENEDIOIC ACID;4-OXOHEPTADIENE-1,7-DIOIC ACID;2,5-Heptadienedioic acid, 4-oxo-

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4-OXOHEPTA-2,5-DIENEDIOICACID Basic Attributes

Molecular Weight：

170.12

Exact Mass：

170.02152329

DSSTox ID：

DTXSID10371839

Characteristics

Density：

1.445±0.06 g/cm3

Melting Point：

300 °C

Boiling Point：

406.9±30.0 °C(Predicted)

PKA：

2.79±0.10

Safety Information

Marks：

Computed Properties

Molecular Weight:170.12
XLogP3:-0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:170.02152329
Monoisotopic Mass:170.02152329
Topological Polar Surface Area:91.7
Heavy Atom Count:12
Complexity:235
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-OXOHEPTA-2,5-DIENEDIOICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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