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42599-16-6

42599-16-6 | E-1-OCTENYLBORONIC ACID

CAS No: 42599-16-6 Catalog No: AG00BXMT MDL No:MFCD02093734

Product Description

Catalog Number:
AG00BXMT
Chemical Name:
E-1-OCTENYLBORONIC ACID
CAS Number:
42599-16-6
Molecular Formula:
C8H17BO2
Molecular Weight:
156.0304
MDL Number:
MFCD02093734
IUPAC Name:
[(E)-oct-1-enyl]boronic acid
InChI:
InChI=1S/C8H17BO2/c1-2-3-4-5-6-7-8-9(10)11/h7-8,10-11H,2-6H2,1H3/b8-7+
InChI Key:
RBTAJLKAPFBZDQ-BQYQJAHWSA-N
SMILES:
CCCCCC/C=C/B(O)O

Properties

Complexity:
102  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
156.132g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
156.032g/mol
Monoisotopic Mass:
156.132g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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