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1680-32-6 | Carbonic acid, 1-methylethyl octyl ester
CAS No: 1680-32-6 Catalog No: AG001XQI MDL No:
Product Description
Catalog Number:
AG001XQI
Chemical Name:
Carbonic acid, 1-methylethyl octyl ester
CAS Number:
1680-32-6
Molecular Formula:
C12H24O3
Molecular Weight:
216.3172
IUPAC Name:
octyl propan-2-yl carbonate
InChI:
InChI=1S/C12H24O3/c1-4-5-6-7-8-9-10-14-12(13)15-11(2)3/h11H,4-10H2,1-3H3
InChI Key:
GXPAJEVWRLBRHB-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)OC(C)C
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.173g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.321g/mol
Monoisotopic Mass:
216.173g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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