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22871-77-8 | 1-NAPHTHALENEBORONIC ACID NEOPENTYL GLYCOL CYCLIC ESTER
CAS No: 22871-77-8 Catalog No: AG003EJA MDL No:MFCD01318167
Product Description
Catalog Number:
AG003EJA
Chemical Name:
1-NAPHTHALENEBORONIC ACID NEOPENTYL GLYCOL CYCLIC ESTER
CAS Number:
22871-77-8
Molecular Formula:
C15H17BO2
Molecular Weight:
240.1053
MDL Number:
MFCD01318167
IUPAC Name:
5,5-dimethyl-2-naphthalen-1-yl-1,3,2-dioxaborinane
InChI:
InChI=1S/C15H17BO2/c1-15(2)10-17-16(18-11-15)14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,10-11H2,1-2H3
InChI Key:
VWRKQVBSFBSIOI-UHFFFAOYSA-N
SMILES:
CC1(C)COB(OC1)c1cccc2c1cccc2
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.109g/mol
Monoisotopic Mass:
240.132g/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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