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824425-22-1 | 2-Cyclopropene-1-carboxylic acid, 2-(4-butylphenyl)-1-phenyl-
CAS No: 824425-22-1 Catalog No: AG004W6Z MDL No:
Product Description
Catalog Number:
AG004W6Z
Chemical Name:
2-Cyclopropene-1-carboxylic acid, 2-(4-butylphenyl)-1-phenyl-
CAS Number:
824425-22-1
Molecular Formula:
C20H20O2
Molecular Weight:
292.3716
IUPAC Name:
2-(4-butylphenyl)-1-phenylcycloprop-2-ene-1-carboxylic acid
InChI:
InChI=1S/C20H20O2/c1-2-3-7-15-10-12-16(13-11-15)18-14-20(18,19(21)22)17-8-5-4-6-9-17/h4-6,8-14H,2-3,7H2,1H3,(H,21,22)
InChI Key:
MYAMOQFVONZPTM-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)C1=CC1(C(=O)O)c1ccccc1
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.146g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.378g/mol
Monoisotopic Mass:
292.146g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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