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Home > Boronic Acids > 380430-59-1
380430-59-1 | [3-(E-3-METHOXY-3-OXO-1-PROPEN-1-YL)PHENYL]BORONIC ACID
CAS No: 380430-59-1 Catalog No: AG00C0XT MDL No:MFCD02179477
Product Description
Catalog Number:
AG00C0XT
Chemical Name:
[3-(E-3-METHOXY-3-OXO-1-PROPEN-1-YL)PHENYL]BORONIC ACID
CAS Number:
380430-59-1
Molecular Formula:
C10H11BO4
Molecular Weight:
206.0029
MDL Number:
MFCD02179477
IUPAC Name:
[3-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]boronic acid
InChI:
InChI=1S/C10H11BO4/c1-15-10(12)6-5-8-3-2-4-9(7-8)11(13)14/h2-7,13-14H,1H3/b6-5+
InChI Key:
DZTWTEGVKAHSGN-AATRIKPKSA-N
SMILES:
COC(=O)/C=C/c1cccc(c1)B(O)O
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
206.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.004g/mol
Monoisotopic Mass:
206.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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