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144028-50-2 | 3-Cyclobutene-1,2-dicarboxylic acid, 3,4-diphenyl-, cis- (9CI)
CAS No: 144028-50-2 Catalog No: AG001ITV MDL No:
Product Description
Catalog Number:
AG001ITV
Chemical Name:
3-Cyclobutene-1,2-dicarboxylic acid, 3,4-diphenyl-, cis- (9CI)
CAS Number:
144028-50-2
Molecular Formula:
C18H14O4
Molecular Weight:
294.3014
IUPAC Name:
(1S,2R)-3,4-diphenylcyclobut-3-ene-1,2-dicarboxylic acid
InChI:
InChI=1S/C18H14O4/c19-17(20)15-13(11-7-3-1-4-8-11)14(16(15)18(21)22)12-9-5-2-6-10-12/h1-10,15-16H,(H,19,20)(H,21,22)/t15-,16+
InChI Key:
SLOMSIDZYHENMN-IYBDPMFKSA-N
SMILES:
OC(=O)[C@@H]1[C@H](C(=O)O)C(=C1c1ccccc1)c1ccccc1
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
294.089g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.306g/mol
Monoisotopic Mass:
294.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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