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1447763-50-9 | 4-(Carboxy)cyclohexene-1-boronic acid, pinacol ester
CAS No: 1447763-50-9 Catalog No: AG00HX7R MDL No:MFCD27981321
Product Description
Catalog Number:
AG00HX7R
Chemical Name:
4-(Carboxy)cyclohexene-1-boronic acid, pinacol ester
CAS Number:
1447763-50-9
Molecular Formula:
C13H21BO4
Molecular Weight:
252.1144
MDL Number:
MFCD27981321
IUPAC Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carboxylic acid
InChI:
InChI=1S/C13H21BO4/c1-12(2)13(3,4)18-14(17-12)10-7-5-9(6-8-10)11(15)16/h7,9H,5-6,8H2,1-4H3,(H,15,16)
InChI Key:
TVALPBGGKJPQPW-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCC(=CC1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.153g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.117g/mol
Monoisotopic Mass:
252.153g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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