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7250-71-7 | 3-PHENOXYPROPYLENE DI(ACETATE)
CAS No: 7250-71-7 Catalog No: AG005GX6 MDL No:
Product Description
Catalog Number:
AG005GX6
Chemical Name:
3-PHENOXYPROPYLENE DI(ACETATE)
CAS Number:
7250-71-7
Molecular Formula:
C13H16O5
Molecular Weight:
252.2631
IUPAC Name:
(2-acetyloxy-3-phenoxypropyl) acetate
InChI:
InChI=1S/C13H16O5/c1-10(14)16-8-13(18-11(2)15)9-17-12-6-4-3-5-7-12/h3-7,13H,8-9H2,1-2H3
InChI Key:
MFUHTALWGBAVOL-UHFFFAOYSA-N
SMILES:
CC(=O)OC(COC(=O)C)COc1ccccc1
EC Number:
230-661-2
NSC Number:
30150
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.266g/mol
Monoisotopic Mass:
252.1g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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