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Home > Boronic Acids > 871125-80-3
871125-80-3 | (3-Formyl-5-propoxyphenyl)boronic acid
CAS No: 871125-80-3 Catalog No: AG003BSJ MDL No:MFCD07784397
Product Description
Catalog Number:
AG003BSJ
Chemical Name:
(3-Formyl-5-propoxyphenyl)boronic acid
CAS Number:
871125-80-3
Molecular Formula:
C10H13BO4
Molecular Weight:
208.0188
MDL Number:
MFCD07784397
IUPAC Name:
(3-formyl-5-propoxyphenyl)boronic acid
InChI:
InChI=1S/C10H13BO4/c1-2-3-15-10-5-8(7-12)4-9(6-10)11(13)14/h4-7,13-14H,2-3H2,1H3
InChI Key:
MPQVVDQADAGQCM-UHFFFAOYSA-N
SMILES:
CCCOc1cc(C=O)cc(c1)B(O)O
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.091g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.02g/mol
Monoisotopic Mass:
208.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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