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127027-42-3 | Carbonic acid, octyl phenylmethyl ester
CAS No: 127027-42-3 Catalog No: AG000WL2 MDL No:
Product Description
Catalog Number:
AG000WL2
Chemical Name:
Carbonic acid, octyl phenylmethyl ester
CAS Number:
127027-42-3
Molecular Formula:
C16H24O3
Molecular Weight:
264.3600
IUPAC Name:
benzyl octyl carbonate
InChI:
InChI=1S/C16H24O3/c1-2-3-4-5-6-10-13-18-16(17)19-14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3
InChI Key:
HXFGSENNHVGRLX-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)OCc1ccccc1
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.365g/mol
Monoisotopic Mass:
264.173g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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