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Home > Encyclopedia > 3,5-Cyclohexadiene-1,2-diol, 3-ethynyl-, (1S,2R)- (9CI)

3,5-Cyclohexadiene-1,2-diol, 3-ethynyl-, (1S,2R)- (9CI)

3,5-Cyclohexadiene-1,2-diol, 3-ethynyl-, (1S,2R)- (9CI) structure

3,5-Cyclohexadiene-1,2-diol, 3-ethynyl-, (1S,2R)- (9CI) 

structure
  • CAS No:

    114763-29-0

  • Formula:

    C8H8O2

  • Chemical Name:

    3,5-Cyclohexadiene-1,2-diol, 3-ethynyl-, (1S,2R)- (9CI)

  • Synonyms:

    3,5-Cyclohexadiene-1,2-diol, 3-ethynyl-, (1S,2R)- (9CI)

3,5-Cyclohexadiene-1,2-diol, 3-ethynyl-, (1S,2R)- (9CI) Basic Attributes

136.14792

136.052

Characteristics

40.5

-0.3

Computed Properties

Molecular Weight:136.15
XLogP3:-0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:136.052429494
Monoisotopic Mass:136.052429494
Topological Polar Surface Area:40.5
Heavy Atom Count:10
Complexity:229
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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