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100506-87-4 | 2H-Pyran-4-methanol, 4-(acetyloxy)tetrahydro-, 4-acetate
CAS No: 100506-87-4 Catalog No: AG000275 MDL No:
Product Description
Catalog Number:
AG000275
Chemical Name:
2H-Pyran-4-methanol, 4-(acetyloxy)tetrahydro-, 4-acetate
CAS Number:
100506-87-4
Molecular Formula:
C10H16O5
Molecular Weight:
216.2310
IUPAC Name:
acetic acid;[4-(hydroxymethyl)oxan-4-yl] acetate
InChI:
InChI=1S/C8H14O4.C2H4O2/c1-7(10)12-8(6-9)2-4-11-5-3-8;1-2(3)4/h9H,2-6H2,1H3;1H3,(H,3,4)
InChI Key:
ROWOEKCFKWOGJQ-UHFFFAOYSA-N
SMILES:
CC(=O)OCC1(CCOCC1)OC(=O)C
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.248g/mol
Monoisotopic Mass:
234.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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