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1,4,7-Heptanetriol

1,4,7-Heptanetriol structure

CAS No:
3920-53-4
Formula:
C7H16O3
Chemical Name:
1,4,7-Heptanetriol
Synonyms:
1,4,7-Heptanetriol;NSC 18517

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1,4,7-Heptanetriol Basic Attributes

Molecular Weight：

148.20 g/mol

Exact Mass：

148.20

NSC Number：

18517

DSSTox ID：

DTXSID70280751

Characteristics

PSA：

60.7 Å²

Density：

1.075 g/cm³ @ Temp: 18 °C

Boiling Point：

230-232 °C @ Press: 20 Torr

Computed Properties

Molecular Weight:148.20
XLogP3:-0.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:148.109944368
Monoisotopic Mass:148.109944368
Topological Polar Surface Area:60.7
Heavy Atom Count:10
Complexity:57.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,4,7-Heptanetriol

Basic Attributes
Characteristics
Computed Properties

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