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17825-58-0

17825-58-0 | 2-Cyclopropene-1-carboxylic acid, 2,3-diphenyl-

CAS No: 17825-58-0 Catalog No: AG0025VD MDL No:MFCD00157043

Product Description

Catalog Number:
AG0025VD
Chemical Name:
2-Cyclopropene-1-carboxylic acid, 2,3-diphenyl-
CAS Number:
17825-58-0
Molecular Formula:
C16H12O2
Molecular Weight:
236.2653
MDL Number:
MFCD00157043
IUPAC Name:
2,3-diphenylcycloprop-2-ene-1-carboxylic acid
InChI:
InChI=1S/C16H12O2/c17-16(18)15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10,15H,(H,17,18)
InChI Key:
LRFRUFJNOGIAFA-UHFFFAOYSA-N
SMILES:
OC(=O)C1C(=C1c1ccccc1)c1ccccc1
NSC Number:
406044

Properties

Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.084g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.27g/mol
Monoisotopic Mass:
236.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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