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22627-70-9 | 3-Ethoxy-2-cyclopentenone
CAS No: 22627-70-9 Catalog No: AG003JDH MDL No:MFCD00042963
Product Description
Catalog Number:
AG003JDH
Chemical Name:
3-Ethoxy-2-cyclopentenone
CAS Number:
22627-70-9
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
MDL Number:
MFCD00042963
IUPAC Name:
3-ethoxycyclopent-2-en-1-one
InChI:
InChI=1S/C7H10O2/c1-2-9-7-4-3-6(8)5-7/h5H,2-4H2,1H3
InChI Key:
SUQNVCCJLBQVEI-UHFFFAOYSA-N
SMILES:
CCOC1=CC(=O)CC1
EC Number:
245-138-4
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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