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114124-98-0 | 1,2-Cyclobutanedicarboxylic acid, 3,4-diphenyl-, 2-ethyl ester
CAS No: 114124-98-0 Catalog No: AG000AN7 MDL No:
Product Description
Catalog Number:
AG000AN7
Chemical Name:
1,2-Cyclobutanedicarboxylic acid, 3,4-diphenyl-, 2-ethyl ester
CAS Number:
114124-98-0
Molecular Formula:
C20H19O4-
Molecular Weight:
323.3625
IUPAC Name:
2-ethoxycarbonyl-3,4-diphenylcyclobutane-1-carboxylate
InChI:
InChI=1S/C20H20O4/c1-2-24-20(23)18-16(14-11-7-4-8-12-14)15(17(18)19(21)22)13-9-5-3-6-10-13/h3-12,15-18H,2H2,1H3,(H,21,22)/p-1
InChI Key:
VIFMRMIKDGJEKA-UHFFFAOYSA-M
SMILES:
CCOC(=O)C1C(C(=O)[O-])C(C1c1ccccc1)c1ccccc1
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.128g/mol
Formal Charge:
-1
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.368g/mol
Monoisotopic Mass:
323.128g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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