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2-(oxan-2-yl)benzoate

2-(oxan-2-yl)benzoate structure

CAS No:
70363-80-3
Formula:
C12H13O3-
Chemical Name:
2-(oxan-2-yl)benzoate
Synonyms:
tetrahydro-2H-pyran-2-yl benzoate; 2H-Pyran-2-ol,tetrahydro-,benzoate; 2-Tetrahydropyranylbenzoate; benzoic acid tetrahydropyran-2-yl ester; Benzoesaeure-tetrahydropyran-2-ylester; 2-Tetrahydropyranylbenzoat; 2-Benzoyloxy-tetrahydropyran;Expand

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2-(oxan-2-yl)benzoate Basic Attributes

Molecular Weight：

205.23000

Exact Mass：

205.086469272 g/mol

Characteristics

PSA：

49.36000

XLogP3：

1.29170

Boiling Point：

349.8ºC at 760 mmHg

Flash Point：

135.4ºC

Drug Information

MeSH Entry Terms：

2-tetrahydropyranylbenzoate

Computed Properties

Molecular Weight:205.23
XLogP3:2.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:205.086469272
Monoisotopic Mass:205.086469272
Topological Polar Surface Area:49.4
Heavy Atom Count:15
Formal Charge:-1
Complexity:221
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(oxan-2-yl)benzoate

Basic Attributes
Characteristics
Drug Information
Computed Properties

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