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Home > Boronic Acids > 1071958-96-7
1071958-96-7 | 4-methoxy-3-(methoxycarbonyl)phenylboronic acid
CAS No: 1071958-96-7 Catalog No: AG00HAXY MDL No:MFCD23380361
Product Description
Catalog Number:
AG00HAXY
Chemical Name:
4-methoxy-3-(methoxycarbonyl)phenylboronic acid
CAS Number:
1071958-96-7
Molecular Formula:
C9H11BO5
Molecular Weight:
209.9916
MDL Number:
MFCD23380361
IUPAC Name:
(4-methoxy-3-methoxycarbonylphenyl)boronic acid
InChI:
InChI=1S/C9H11BO5/c1-14-8-4-3-6(10(12)13)5-7(8)9(11)15-2/h3-5,12-13H,1-2H3
InChI Key:
LXGMDDVQLGJPIT-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1OC)B(O)O
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.07g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.992g/mol
Monoisotopic Mass:
210.07g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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