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Home > Boronic Acids > 959861-28-0
959861-28-0 | 4-(Cyclopropylcarbonyl)phenylboronic acid
CAS No: 959861-28-0 Catalog No: AG00IJPL MDL No:MFCD06801673
Product Description
Catalog Number:
AG00IJPL
Chemical Name:
4-(Cyclopropylcarbonyl)phenylboronic acid
CAS Number:
959861-28-0
Molecular Formula:
C10H11BO3
Molecular Weight:
190.0035
MDL Number:
MFCD06801673
IUPAC Name:
[4-(cyclopropanecarbonyl)phenyl]boronic acid
InChI:
InChI=1S/C10H11BO3/c12-10(7-1-2-7)8-3-5-9(6-4-8)11(13)14/h3-7,13-14H,1-2H2
InChI Key:
WIROHRLGTDEXLM-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(=O)C1CC1)O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.005g/mol
Monoisotopic Mass:
190.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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