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918793-63-2

918793-63-2 | Boronic acid, B-[(1E)-1,2-diphenyl-1-buten-1-yl]-

CAS No: 918793-63-2 Catalog No: AG006NTZ MDL No:

Product Description

Catalog Number:
AG006NTZ
Chemical Name:
Boronic acid, B-[(1E)-1,2-diphenyl-1-buten-1-yl]-
CAS Number:
918793-63-2
Molecular Formula:
C16H17BO2
Molecular Weight:
252.1160
IUPAC Name:
1,2-diphenylbut-1-enylboronic acid
InChI:
InChI=1S/C16H17BO2/c1-2-15(13-9-5-3-6-10-13)16(17(18)19)14-11-7-4-8-12-14/h3-12,18-19H,2H2,1H3
InChI Key:
NYWSYNLWGUBPLI-UHFFFAOYSA-N
SMILES:
CC/C(=C(\c1ccccc1)/B(O)O)/c1ccccc1

Properties

Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.132g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
252.12g/mol
Monoisotopic Mass:
252.132g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  

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