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42599-18-8

42599-18-8 | E-HEXEN-1-YLBORONIC ACID

CAS No: 42599-18-8 Catalog No: AG00C0XW MDL No:MFCD01074553

Product Description

Catalog Number:
AG00C0XW
Chemical Name:
E-HEXEN-1-YLBORONIC ACID
CAS Number:
42599-18-8
MDL Number:
MFCD01074553
IUPAC Name:
[(E)-hex-1-enyl]boronic acid
InChI:
InChI=1S/C6H13BO2/c1-2-3-4-5-6-7(8)9/h5-6,8-9H,2-4H2,1H3/b6-5+
InChI Key:
GWFKSQSXNUNYAC-AATRIKPKSA-N

Properties

Complexity:
81.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
128.101g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
127.978g/mol
Monoisotopic Mass:
128.101g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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