- Product Details
Keywords
- Benzeneacetic acid, a-(1-hydroxycyclobutyl)-
- 5463-97-8
- 98%
Quick Details
- ProName: Benzeneacetic acid, a-(1-hydroxycyclob...
- CasNo: 5463-97-8
- Molecular Formula: C12H14 O3
- Appearance: Solid
- Application: Organic Chemicals
- DeliveryTime: As client's demand quantity
- PackAge: as requested
- Port: SHANGHAI
- ProductionCapacity: 100 Kilogram/Month
- Purity: 99%
- Storage: room temperature
- Transportation: as requested
- LimitNum: 1 Kilogram
Superiority
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