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Home > Boronic Acids > 448212-00-8
448212-00-8 | 2-Butenoic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethylester, (2Z)-
CAS No: 448212-00-8 Catalog No: AG00I8GX MDL No:MFCD30718738
Product Description
Catalog Number:
AG00I8GX
Chemical Name:
2-Butenoic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethylester, (2Z)-
CAS Number:
448212-00-8
Molecular Formula:
C12H21BO4
Molecular Weight:
240.1037
MDL Number:
MFCD30718738
IUPAC Name:
ethyl (Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enoate
InChI:
InChI=1S/C12H21BO4/c1-7-15-10(14)8-9(2)13-16-11(3,4)12(5,6)17-13/h8H,7H2,1-6H3/b9-8+
InChI Key:
DFGFDUCQEBGHBQ-CMDGGOBGSA-N
SMILES:
CCOC(=O)/C=C(/B1OC(C(O1)(C)C)(C)C)\C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
240.153g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.106g/mol
Monoisotopic Mass:
240.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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