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114289-19-9 | 3-Furancarboxylic acid, 5,5-diethyl-4,5-dihydro-2,4-diphenyl-
CAS No: 114289-19-9 Catalog No: AG000AZM MDL No:
Product Description
Catalog Number:
AG000AZM
Chemical Name:
3-Furancarboxylic acid, 5,5-diethyl-4,5-dihydro-2,4-diphenyl-
CAS Number:
114289-19-9
Molecular Formula:
C21H22O3
Molecular Weight:
322.3976
IUPAC Name:
2,2-diethyl-3,5-diphenyl-3H-furan-4-carboxylic acid
InChI:
InChI=1S/C21H22O3/c1-3-21(4-2)18(15-11-7-5-8-12-15)17(20(22)23)19(24-21)16-13-9-6-10-14-16/h5-14,18H,3-4H2,1-2H3,(H,22,23)
InChI Key:
VHKIXDANLLBOBO-UHFFFAOYSA-N
SMILES:
CCC1(CC)OC(=C(C1c1ccccc1)C(=O)O)c1ccccc1
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.157g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.404g/mol
Monoisotopic Mass:
322.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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