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Home > Boronic Acids > 326496-51-9
326496-51-9 | 4-(ACETOXYMETHYL)BENZENEBORONIC ACID 97
CAS No: 326496-51-9 Catalog No: AG00C0CA MDL No:MFCD08235082
Product Description
Catalog Number:
AG00C0CA
Chemical Name:
4-(ACETOXYMETHYL)BENZENEBORONIC ACID 97
CAS Number:
326496-51-9
Molecular Formula:
C9H11BO4
Molecular Weight:
193.9922
MDL Number:
MFCD08235082
IUPAC Name:
[4-(acetyloxymethyl)phenyl]boronic acid
InChI:
InChI=1S/C9H11BO4/c1-7(11)14-6-8-2-4-9(5-3-8)10(12)13/h2-5,12-13H,6H2,1H3
InChI Key:
FPQABEOUQSYDPY-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)COC(=O)C)O
Properties
Complexity:
187
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:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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