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Home > Boronic Acids > 1104637-47-9
1104637-47-9 | 6-Methyl-2-(prop-1-en-2-yl);-1,3,6,2-dioxazaborocane-4,8-dione
CAS No: 1104637-47-9 Catalog No: AG003R4H MDL No:MFCD15144774
Product Description
Catalog Number:
AG003R4H
Chemical Name:
6-Methyl-2-(prop-1-en-2-yl);-1,3,6,2-dioxazaborocane-4,8-dione
CAS Number:
1104637-47-9
Molecular Formula:
C8H12BNO4
Molecular Weight:
196.9962
MDL Number:
MFCD15144774
IUPAC Name:
6-methyl-2-prop-1-en-2-yl-1,3,6,2-dioxazaborocane-4,8-dione
InChI:
InChI=1S/C8H12BNO4/c1-6(2)9-13-7(11)4-10(3)5-8(12)14-9/h1,4-5H2,2-3H3
InChI Key:
MZUQQYPADWTQLZ-UHFFFAOYSA-N
SMILES:
CN1CC(=O)OB(OC(=O)C1)C(=C)C
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.086g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.997g/mol
Monoisotopic Mass:
197.086g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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