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Home > Boronic Acids > 1048330-10-4
1048330-10-4 | (3-(Methoxycarbonyl)-4-methylphenyl)boronic acid
CAS No: 1048330-10-4 Catalog No: AG007XC5 MDL No:MFCD13191800
Product Description
Catalog Number:
AG007XC5
Chemical Name:
(3-(Methoxycarbonyl)-4-methylphenyl)boronic acid
CAS Number:
1048330-10-4
Molecular Formula:
C9H11BO4
Molecular Weight:
193.9922
MDL Number:
MFCD13191800
IUPAC Name:
(3-methoxycarbonyl-4-methylphenyl)boronic acid
InChI:
InChI=1S/C9H11BO4/c1-6-3-4-7(10(12)13)5-8(6)9(11)14-2/h3-5,12-13H,1-2H3
InChI Key:
CDWTTYCJDYKRNE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1C)B(O)O
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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