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Home > Other Heterocycles > 139079-78-0
139079-78-0 | Bicyclo[3.1.0]hex-3-en-2-one, 4-methoxy-
CAS No: 139079-78-0 Catalog No: AG001A5A MDL No:
Product Description
Catalog Number:
AG001A5A
Chemical Name:
Bicyclo[3.1.0]hex-3-en-2-one, 4-methoxy-
CAS Number:
139079-78-0
Molecular Formula:
C7H8O2
Molecular Weight:
124.1372
IUPAC Name:
4-methoxybicyclo[3.1.0]hex-3-en-2-one
InChI:
InChI=1S/C7H8O2/c1-9-7-3-6(8)4-2-5(4)7/h3-5H,2H2,1H3
InChI Key:
MDPNJMLZGPRSEQ-UHFFFAOYSA-N
SMILES:
COC1=CC(=O)C2C1C2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.052g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.139g/mol
Monoisotopic Mass:
124.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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