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Home > Boronic Acids > 1350513-18-6
1350513-18-6 | (Oxan-4-ylmethyl)boronic acid
CAS No: 1350513-18-6 Catalog No: AG00HTV2 MDL No:MFCD18861659
Product Description
Catalog Number:
AG00HTV2
Chemical Name:
(Oxan-4-ylmethyl)boronic acid
CAS Number:
1350513-18-6
Molecular Formula:
C6H13BO3
Molecular Weight:
143.9766
MDL Number:
MFCD18861659
IUPAC Name:
oxan-4-ylmethylboronic acid
InChI:
InChI=1S/C6H13BO3/c8-7(9)5-6-1-3-10-4-2-6/h6,8-9H,1-5H2
InChI Key:
VSONRZMBCYWOON-UHFFFAOYSA-N
SMILES:
OB(CC1CCOCC1)O
Properties
Complexity:
91
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.096g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
143.977g/mol
Monoisotopic Mass:
144.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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