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87100-25-2 | Boronic acid,(4-oxopentyl)- (9CI)
CAS No: 87100-25-2 Catalog No: AG004U04 MDL No:
Product Description
Catalog Number:
AG004U04
Chemical Name:
Boronic acid,(4-oxopentyl)- (9CI)
CAS Number:
87100-25-2
Molecular Formula:
C5H11BO3
Molecular Weight:
129.9500
IUPAC Name:
4-oxopentylboronic acid
InChI:
InChI=1S/C5H11BO3/c1-5(7)3-2-4-6(8)9/h8-9H,2-4H2,1H3
InChI Key:
NMLNSCTXYFNWKI-UHFFFAOYSA-N
SMILES:
OB(CCCC(=O)C)O
Properties
Complexity:
92.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.08g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
129.95g/mol
Monoisotopic Mass:
130.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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