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Home > Boronic Acids > 36329-85-8
36329-85-8 | 3-PHENYLPROPYLBORONIC ACID
CAS No: 36329-85-8 Catalog No: AG00C7KV MDL No:MFCD01074582
Product Description
Catalog Number:
AG00C7KV
Chemical Name:
3-PHENYLPROPYLBORONIC ACID
CAS Number:
36329-85-8
Molecular Formula:
C9H13BO2
Molecular Weight:
164.0093
MDL Number:
MFCD01074582
IUPAC Name:
3-phenylpropylboronic acid
InChI:
InChI=1S/C9H13BO2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,11-12H,4,7-8H2
InChI Key:
DFHNKJXEZXIYPW-UHFFFAOYSA-N
SMILES:
OB(CCCc1ccccc1)O
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.101g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.011g/mol
Monoisotopic Mass:
164.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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