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Home > Boronic Acids > 935701-04-5
935701-04-5 | 3-(Acetoxymethyl)phenylboronic acid
CAS No: 935701-04-5 Catalog No: AG00GTE5 MDL No:MFCD11053792
Product Description
Catalog Number:
AG00GTE5
Chemical Name:
3-(Acetoxymethyl)phenylboronic acid
CAS Number:
935701-04-5
Molecular Formula:
C9H11BO4
Molecular Weight:
193.9922
MDL Number:
MFCD11053792
IUPAC Name:
[3-(acetyloxymethyl)phenyl]boronic acid
InChI:
InChI=1S/C9H11BO4/c1-7(11)14-6-8-3-2-4-9(5-8)10(12)13/h2-5,12-13H,6H2,1H3
InChI Key:
NCOMVLYGHIHVTP-UHFFFAOYSA-N
SMILES:
CC(=O)OCc1cccc(c1)B(O)O
Properties
Complexity:
195
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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