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113538-22-0

113538-22-0 | 2-Propenal, 3-[1,1'-biphenyl]-4-yl-, (2E)-

CAS No: 113538-22-0 Catalog No: AG0008Y3 MDL No:MFCD07438013

Product Description

Catalog Number:
AG0008Y3
Chemical Name:
2-Propenal, 3-[1,1'-biphenyl]-4-yl-, (2E)-
CAS Number:
113538-22-0
Molecular Formula:
C15H12O
Molecular Weight:
208.2552
MDL Number:
MFCD07438013
IUPAC Name:
(E)-3-(4-phenylphenyl)prop-2-enal
InChI:
InChI=1S/C15H12O/c16-12-4-5-13-8-10-15(11-9-13)14-6-2-1-3-7-14/h1-12H/b5-4+
InChI Key:
DEGNTTFHGNUFKP-SNAWJCMRSA-N
SMILES:
O=C/C=C/c1ccc(cc1)c1ccccc1

Properties

Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
208.089g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.26g/mol
Monoisotopic Mass:
208.089g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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