ethyl 2-hydroxy-3,3-diphenyl-propanoate 5449-42-3

Details:

【Name】
ethyl 2-hydroxy-3,3-diphenylpropanoate
【Iupac name】
ethyl 2-hydroxy-3,3-diphenylpropanoate
【CAS Registry number】
5449-42-3
【Synonyms】
ethyl 2-hydroxy-3,3-diphenylpropanoate
5449-42-3
NSC16325
AC1L5EKC
AC1Q6421
AR-1I8463
NSC-16325
ethyl 2-oxidanyl-3,3-diphenyl-propanoate
ETHYL 2-HYDROXY-3,3-DIPHENYL-PROPANOATE
2-hydroxy-3,3-diphenylpropanoic acid ethyl ester
A830212
【Molecular Formula】
C17H18O3 (Products with the same molecular formula)
【Molecular Weight】
270.323
【Inchi】
InChI=1/C17H18O3/c1-2-20-17(19)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15-16,18H,2H2,1H3
【Canonical SMILES】
CCOC(=O)C(C(C1=CC=CC=C1)C2=CC=CC=C2)O
【MOL File】
5449-42-3.mol
Chemical and Physical Properties
【Density】
1.14g/cm3
【Boiling Point】
402.9°C at 760 mmHg
【Refractive Index】
1.566
【Flash Point】
164.9°C
【Computed Properties】
Molecular Weight:270.32302 [g/mol]
Molecular Formula:C17H18O3
XLogP3-AA:3.3
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:6
Exact Mass:270.125594
MonoIsotopic Mass:270.125594
Topological Polar Surface Area:46.5
Heavy Atom Count:20
Formal Charge:0
Complexity:273
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:2
Feature 3D Donor Count:1
Feature 3D Ring Count:2
Effective Rotor Count:6
Conformer Sampling RMSD:0.8
CID Conformer Count:31