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380481-66-3 | 4-METHYLBENZENEBORONIC ACID NEOPENTYL ESTER
CAS No: 380481-66-3 Catalog No: AG00BXIW MDL No:MFCD03788728
Product Description
Catalog Number:
AG00BXIW
Chemical Name:
4-METHYLBENZENEBORONIC ACID NEOPENTYL ESTER
CAS Number:
380481-66-3
Molecular Formula:
C12H17BO2
Molecular Weight:
204.0732
MDL Number:
MFCD03788728
IUPAC Name:
5,5-dimethyl-2-(4-methylphenyl)-1,3,2-dioxaborinane
InChI:
InChI=1S/C12H17BO2/c1-10-4-6-11(7-5-10)13-14-8-12(2,3)9-15-13/h4-7H,8-9H2,1-3H3
InChI Key:
ZSPBWRPQSPRISS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)B1OCC(CO1)(C)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.132g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.076g/mol
Monoisotopic Mass:
204.132g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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