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Home > Boronic Acids > 99745-86-5
99745-86-5 | DIISOPROPYL 2-CROTYL-1,3,2-DIOXABOROLANE-4,5-DICARBOXYLATE
CAS No: 99745-86-5 Catalog No: AG003WHH MDL No:
Product Description
Catalog Number:
AG003WHH
Chemical Name:
DIISOPROPYL 2-CROTYL-1,3,2-DIOXABOROLANE-4,5-DICARBOXYLATE
CAS Number:
99745-86-5
Molecular Formula:
C14H23BO6
Molecular Weight:
298.1398
IUPAC Name:
dipropan-2-yl 2-but-2-enyl-1,3,2-dioxaborolane-4,5-dicarboxylate
InChI:
InChI=1S/C14H23BO6/c1-6-7-8-15-20-11(13(16)18-9(2)3)12(21-15)14(17)19-10(4)5/h6-7,9-12H,8H2,1-5H3
InChI Key:
UQRUTCGBDPMECL-UHFFFAOYSA-N
SMILES:
CC=CCB1OC(C(O1)C(=O)OC(C)C)C(=O)OC(C)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.159g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.142g/mol
Monoisotopic Mass:
298.159g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
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