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13195-76-1 | Boric acid (H3BO3), tris(2-methylpropyl) ester
CAS No: 13195-76-1 Catalog No: AG000ZZ6 MDL No:MFCD00043935
Product Description
Catalog Number:
AG000ZZ6
Chemical Name:
Boric acid (H3BO3), tris(2-methylpropyl) ester
CAS Number:
13195-76-1
Molecular Formula:
C12H27BO3
Molecular Weight:
230.1520
MDL Number:
MFCD00043935
IUPAC Name:
tris(2-methylpropyl) borate
InChI:
InChI=1S/C12H27BO3/c1-10(2)7-14-13(15-8-11(3)4)16-9-12(5)6/h10-12H,7-9H2,1-6H3
InChI Key:
LHJSLDBKUGXPMI-UHFFFAOYSA-N
SMILES:
CC(COB(OCC(C)C)OCC(C)C)C
EC Number:
236-160-5
NSC Number:
65329
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.205g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.155g/mol
Monoisotopic Mass:
230.205g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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