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3-BUTYNYL-1-ACETATE

3-BUTYNYL-1-ACETATE structure

CAS No:
56703-55-0
Formula:
C6H8O2
Chemical Name:
3-BUTYNYL-1-ACETATE
Synonyms:
But-3-ynyl Acetate;3-Butynyl-1-acetate;But-3-yn-1-yl acetate;3-butynyl acetate;acetic acid but-3-ynyl ester;SCHEMBL114714;DTXSID40390790;ZINC2382826;AKOS006237899;SC-50550

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3-BUTYNYL-1-ACETATE Basic Attributes

Molecular Weight：

112.13

Exact Mass：

112.05200

DSSTox ID：

DTXSID40390790

Characteristics

PSA：

26.3

XLogP3：

0.57280

Density：

0.976g/cm3

Boiling Point：

141.7ºC at 760 mmHg

Flash Point：

39.4ºC

Refractive Index：

1.426

Computed Properties

Molecular Weight:112.13
XLogP3:0.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:112.052429494
Monoisotopic Mass:112.052429494
Topological Polar Surface Area:26.3
Heavy Atom Count:8
Complexity:118
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-BUTYNYL-1-ACETATE

Basic Attributes
Characteristics
Computed Properties

3-BUTYNYL-1-ACETATE

SDS

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