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3-hydroxyheptylacetate

3-hydroxyheptylacetate structure

CAS No:
39920-56-4
Formula:
C9H18O3
Chemical Name:
3-hydroxyheptylacetate
Synonyms:
3-hydroxyheptyl acetate;1,3-Heptanediol 1-acetate

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3-hydroxyheptylacetate Basic Attributes

Molecular Weight：

174.24

Exact Mass：

174.125594432 g/mol

Characteristics

PSA：

46.5 Å²

Density：

1.0069

Boiling Point：

245.22°C (rough estimate)

Refractive Index：

1.4300 (estimate)

Toxicity：

LD50 orl-rat: 8350 mg/kg AMIHBC 10,61,54

Computed Properties

Molecular Weight:174.24
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:174.125594432
Monoisotopic Mass:174.125594432
Topological Polar Surface Area:46.5
Heavy Atom Count:12
Complexity:123
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-hydroxyheptylacetate

Basic Attributes
Characteristics
Computed Properties

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