Benzeneacetic acid, a-(1-hydroxycyclobutyl)-(CAS No. 5463-97-8)

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1 Kilogram	Negotiable

1 Kilogram

Negotiable

Min.Order :1 Kilogram
Purity: 99%
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Benzeneacetic acid, a-(1-hydroxycyclobutyl)- 5463-97-8 98%

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Appearance:Solid
Application:Organic Chemicals
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Details:

Benzeneacetic acid, a-(1-hydroxycyclobutyl)-
【CAS Registry number】
5463-97-8
【Synonyms】
1-Hydroxy-a-phenylcyclobutaneacetic acid
NSC 21323
【Molecular Formula】
C12H14 O3 (Products with the same molecular formula)
【Molecular Weight】
206.2378
【Inchi】
InChI=1/C12H14O3/c13-11(14)10(12(15)7-4-8-12)9-5-2-1-3-6-9/h1-3,5-6,10,15H,4,7-8H2,(H,13,14)
【Canonical SMILES】
C1CC(C1)(C(C2=CC=CC=C2)C(=O)O)O
Chemical and Physical Properties
【Density】
1.317g/cm3
【Boiling Point】
370.9°C at 760 mmHg
【Refractive Index】
1.624
【Flash Point】
192.3°C
【Computed Properties】
Molecular Weight:206.23776 [g/mol]
Molecular Formula:C12H14O3
XLogP3-AA:2
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:3
Exact Mass:206.094294
MonoIsotopic Mass:206.094294
Topological Polar Surface Area:57.5
Heavy Atom Count:15
Formal Charge:0
Complexity:239
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Ring Count:2
Effective Rotor Count:3.8
Conformer Sampling RMSD:0.6
CID Conformer Count:12

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