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Home > Boronic Acids > 1004294-83-0
1004294-83-0 | methyl 1-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate
CAS No: 1004294-83-0 Catalog No: AG00H984 MDL No:MFCD18761349
Product Description
Catalog Number:
AG00H984
Chemical Name:
methyl 1-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate
CAS Number:
1004294-83-0
Molecular Formula:
C17H23BO4
Molecular Weight:
302.1731
MDL Number:
MFCD18761349
IUPAC Name:
methyl 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate
InChI:
InChI=1S/C17H23BO4/c1-15(2)16(3,4)22-18(21-15)13-8-6-7-12(11-13)17(9-10-17)14(19)20-5/h6-8,11H,9-10H2,1-5H3
InChI Key:
XPMIAPQNTQXJNU-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CC1)c1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.169g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.177g/mol
Monoisotopic Mass:
302.169g/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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