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Home > Boronic Acids > 876189-18-3
876189-18-3 | (5-(Methoxycarbonyl);-2-methylphenyl);boronic acid
CAS No: 876189-18-3 Catalog No: AG004I26 MDL No:MFCD11111429
Product Description
Catalog Number:
AG004I26
Chemical Name:
(5-(Methoxycarbonyl);-2-methylphenyl);boronic acid
CAS Number:
876189-18-3
Molecular Formula:
C9H11BO4
Molecular Weight:
193.9922
MDL Number:
MFCD11111429
IUPAC Name:
(5-methoxycarbonyl-2-methylphenyl)boronic acid
InChI:
InChI=1S/C9H11BO4/c1-6-3-4-7(9(11)14-2)5-8(6)10(12)13/h3-5,12-13H,1-2H3
InChI Key:
PGNCKSWGMBDXGE-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)B(O)O)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.993g/mol
Monoisotopic Mass:
194.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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