Text Search
Structure Search

6-methyl-2-(prop-1-en-2-yl)-1,3,6,2-dioxazaborocane-4,8-dione

6-methyl-2-(prop-1-en-2-yl)-1,3,6,2-dioxazaborocane-4,8-dione

CAS: 1104637-47-9

Formula: C8H12BNO4

SMILES: CN1CC(=O)OB(OC(=O)C1)C(C)=C

IUPAC: 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

Composition: C (48.78%), H (6.14%), B (5.49%), N (7.11%), O (32.49%)

Molar Mass: 197

Atom Count: 26

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 197.085938
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey MZUQQYPADWTQLZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.28
Topological Polar Surface Area 55.84
Polarizability 19.58
Ring Count 1
Rotatable Bond Count 1

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
AA BLOCKS INC
Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 1104637-47-9 $73.60-$339.25$73.60$125.35$339.25
Request Quote
Molecule Market Select
Purity LeadTime CAS UnitPrice
98% <10 Days 1104637-47-9 Quote Only