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Home > Boronic Acids > 121124-98-9
121124-98-9 | Boronic acid, [3-formyl-4-(phenylmethoxy)phenyl]-
CAS No: 121124-98-9 Catalog No: AG00HFW0 MDL No:MFCD02179487
Product Description
Catalog Number:
AG00HFW0
Chemical Name:
Boronic acid, [3-formyl-4-(phenylmethoxy)phenyl]-
CAS Number:
121124-98-9
Molecular Formula:
C14H13BO4
Molecular Weight:
256.0616
MDL Number:
MFCD02179487
IUPAC Name:
(3-formyl-4-phenylmethoxyphenyl)boronic acid
InChI:
InChI=1S/C14H13BO4/c16-9-12-8-13(15(17)18)6-7-14(12)19-10-11-4-2-1-3-5-11/h1-9,17-18H,10H2
InChI Key:
SELUMTHJWHLSBV-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1OCc1ccccc1)B(O)O
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.091g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.064g/mol
Monoisotopic Mass:
256.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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