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4-(TETRAHYDROPYRAN-4-YLOXY)BENZOICACID

4-(TETRAHYDROPYRAN-4-YLOXY)BENZOICACID structure

CAS No:
851048-51-6
Formula:
C12H14O4
Chemical Name:
4-(TETRAHYDROPYRAN-4-YLOXY)BENZOICACID
Synonyms:
4-(TETRAHYDROPYRAN-4-YLOXY)BENZOIC ACID;4-[(Tetrahydro-2H-pyran-4-yl)oxy]benzoic acid;Benzoic acid, 4-[(tetrahydro-2H-pyran-4-yl)oxy]-

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4-(TETRAHYDROPYRAN-4-YLOXY)BENZOICACID Basic Attributes

Molecular Weight：

222.24

Exact Mass：

222.08920892

DSSTox ID：

DTXSID10640234

HScode：

2932999099

Characteristics

PSA：

55.76000

XLogP3：

1.94260

Melting Point：

185 °C

Safety Information

hazard class code：

safety instructions：

26-39

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:222.24
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:222.08920892
Monoisotopic Mass:222.08920892
Topological Polar Surface Area:55.8
Heavy Atom Count:16
Complexity:227
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(TETRAHYDROPYRAN-4-YLOXY)BENZOICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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