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Home > Boronic Acids > 929626-18-6
929626-18-6 | 3-(METHOXYCARBONYL)-5-METHYLPHENYLBORONIC ACID
CAS No: 929626-18-6 Catalog No: AG00H32C MDL No:MFCD09751432
Product Description
Catalog Number:
AG00H32C
Chemical Name:
3-(METHOXYCARBONYL)-5-METHYLPHENYLBORONIC ACID
CAS Number:
929626-18-6
Molecular Formula:
C9H11BO4
Molecular Weight:
193.9922
MDL Number:
MFCD09751432
IUPAC Name:
(3-methoxycarbonyl-5-methylphenyl)boronic acid
InChI:
InChI=1S/C9H11BO4/c1-6-3-7(9(11)14-2)5-8(4-6)10(12)13/h3-5,12-13H,1-2H3
InChI Key:
NXVIETJDAUYFAD-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1)C)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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