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18234-46-3 | Cyclopenta[c]pyran-7-carboxaldehyde, 4-[(acetyloxy)methyl]-
CAS No: 18234-46-3 Catalog No: AG0023OE MDL No:MFCD01735560
Product Description
Catalog Number:
AG0023OE
Chemical Name:
Cyclopenta[c]pyran-7-carboxaldehyde, 4-[(acetyloxy)methyl]-
CAS Number:
18234-46-3
Molecular Formula:
C12H10O4
Molecular Weight:
218.2054
MDL Number:
MFCD01735560
IUPAC Name:
(7-formylcyclopenta[c]pyran-4-yl)methyl acetate
InChI:
InChI=1S/C12H10O4/c1-8(14)16-6-10-5-15-7-12-9(4-13)2-3-11(10)12/h2-5,7H,6H2,1H3
InChI Key:
QIUOVIRIFZOCLL-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c1cocc2COC(=O)C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.208g/mol
Monoisotopic Mass:
218.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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