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Home > Boronic Acids > 1072946-57-6
1072946-57-6 | (3-(5-Ethoxy-5-oxopentyl);phenyl);boronic acid
CAS No: 1072946-57-6 Catalog No: AG003BQ3 MDL No:MFCD11053845
Product Description
Catalog Number:
AG003BQ3
Chemical Name:
(3-(5-Ethoxy-5-oxopentyl);phenyl);boronic acid
CAS Number:
1072946-57-6
Molecular Formula:
C13H19BO4
Molecular Weight:
250.0986
MDL Number:
MFCD11053845
IUPAC Name:
[3-(5-ethoxy-5-oxopentyl)phenyl]boronic acid
InChI:
InChI=1S/C13H19BO4/c1-2-18-13(15)9-4-3-6-11-7-5-8-12(10-11)14(16)17/h5,7-8,10,16-17H,2-4,6,9H2,1H3
InChI Key:
VKBIWJNTRMUYTC-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCc1cccc(c1)B(O)O
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.138g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.101g/mol
Monoisotopic Mass:
250.138g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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