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Home > Boronic Acids > 957066-08-9
957066-08-9 | (4-(3-(2-Acetylhydrazinyl);-3-oxopropyl);phenyl);boronic acid
CAS No: 957066-08-9 Catalog No: AG005YDJ MDL No:MFCD09878348
Product Description
Catalog Number:
AG005YDJ
Chemical Name:
(4-(3-(2-Acetylhydrazinyl);-3-oxopropyl);phenyl);boronic acid
CAS Number:
957066-08-9
Molecular Formula:
C11H15BN2O4
Molecular Weight:
250.0588
MDL Number:
MFCD09878348
IUPAC Name:
[4-[3-(2-acetylhydrazinyl)-3-oxopropyl]phenyl]boronic acid
InChI:
InChI=1S/C11H15BN2O4/c1-8(15)13-14-11(16)7-4-9-2-5-10(6-3-9)12(17)18/h2-3,5-6,17-18H,4,7H2,1H3,(H,13,15)(H,14,16)
InChI Key:
CCLRZQKQISTSPU-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)CCC(=O)NNC(=O)C)O
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.112g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
250.061g/mol
Monoisotopic Mass:
250.112g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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