Home Other Building Blocks 2-Cyclohexen-1-one, 3-methoxy-

2-Cyclohexen-1-one, 3-methoxy-

CAS No.:
16807-60-6
Catalog Number:
AG001XRR
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
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Product Description
Catalog Number:
AG001XRR
Chemical Name:
2-Cyclohexen-1-one, 3-methoxy-
CAS Number:
16807-60-6
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
MDL Number:
MFCD00236366
IUPAC Name:
3-methoxycyclohex-2-en-1-one
InChI:
InChI=1S/C7H10O2/c1-9-7-4-2-3-6(8)5-7/h5H,2-4H2,1H3
InChI Key:
JFTPIEHHCQPVCS-UHFFFAOYSA-N
SMILES:
COC1=CC(=O)CCC1
EC Number:
240-837-0
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:
1  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
A new and efficient chemoenzymatic route to both enantiomers of 4-hydroxycyclohex-2-en-1-one. Organic letters 20020613
Properties