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4737-50-2 | n-Pentylboronic acid
CAS No: 4737-50-2 Catalog No: AG003TAS MDL No:MFCD01074651
Product Description
Catalog Number:
AG003TAS
Chemical Name:
n-Pentylboronic acid
CAS Number:
4737-50-2
Molecular Formula:
C5H13BO2
Molecular Weight:
115.9665
MDL Number:
MFCD01074651
IUPAC Name:
pentylboronic acid
InChI:
InChI=1S/C5H13BO2/c1-2-3-4-5-6(7)8/h7-8H,2-5H2,1H3
InChI Key:
ABWPXVJNCQKYDR-UHFFFAOYSA-N
SMILES:
CCCCCB(O)O
NSC Number:
524968
Properties
Complexity:
47.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.101g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
115.967g/mol
Monoisotopic Mass:
116.101g/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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