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80041-89-0 | Isopropylboronic acid
CAS No: 80041-89-0 Catalog No: AG0036HG MDL No:MFCD01319021
Product Description
Catalog Number:
AG0036HG
Chemical Name:
Isopropylboronic acid
CAS Number:
80041-89-0
Molecular Formula:
C3H9BO2
Molecular Weight:
87.9134
MDL Number:
MFCD01319021
IUPAC Name:
propan-2-ylboronic acid
InChI:
InChI=1S/C3H9BO2/c1-3(2)4(5)6/h3,5-6H,1-2H3
InChI Key:
QIPHSSYCQCBJAX-UHFFFAOYSA-N
SMILES:
OB(C(C)C)O
Properties
Complexity:
35.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
88.07g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
87.913g/mol
Monoisotopic Mass:
88.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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