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54664-61-8 | cis-3,5-Diacetoxycyclopentene
CAS No: 54664-61-8 Catalog No: AG0038NQ MDL No:MFCD03002563
Product Description
Catalog Number:
AG0038NQ
Chemical Name:
cis-3,5-Diacetoxycyclopentene
CAS Number:
54664-61-8
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
MDL Number:
MFCD03002563
IUPAC Name:
[(1R,4S)-4-acetyloxycyclopent-2-en-1-yl] acetate
InChI:
InChI=1S/C9H12O4/c1-6(10)12-8-3-4-9(5-8)13-7(2)11/h3-4,8-9H,5H2,1-2H3/t8-,9+
InChI Key:
UKPIBFMHHUEUQR-DTORHVGOSA-N
SMILES:
CC(=O)O[C@@H]1C=C[C@@H](C1)OC(=O)C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
184.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.191g/mol
Monoisotopic Mass:
184.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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