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Home > Boronic Acids > 125261-73-6
125261-73-6 | Boronic acid, B-[(1Z)-1-methyl-1-propen-1-yl]-
CAS No: 125261-73-6 Catalog No: AG000NEV MDL No:MFCD28099980
Product Description
Catalog Number:
AG000NEV
Chemical Name:
Boronic acid, B-[(1Z)-1-methyl-1-propen-1-yl]-
CAS Number:
125261-73-6
Molecular Formula:
C4H9BO2
Molecular Weight:
99.9241
MDL Number:
MFCD28099980
IUPAC Name:
[(Z)-but-2-en-2-yl]boronic acid
InChI:
InChI=1S/C4H9BO2/c1-3-4(2)5(6)7/h3,6-7H,1-2H3/b4-3+
InChI Key:
CCXHEPSOPWJNJB-ONEGZZNKSA-N
SMILES:
OB(/C(=C/C)/C)O
Properties
Complexity:
77.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
100.07g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
99.924g/mol
Monoisotopic Mass:
100.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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