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823785-46-2 | Cyclopentanone, 2-heptylidene-3-methoxy-, (2E)-
CAS No: 823785-46-2 Catalog No: AG004YM0 MDL No:
Product Description
Catalog Number:
AG004YM0
Chemical Name:
Cyclopentanone, 2-heptylidene-3-methoxy-, (2E)-
CAS Number:
823785-46-2
Molecular Formula:
C13H22O2
Molecular Weight:
210.3126
IUPAC Name:
2-heptylidene-3-methoxycyclopentan-1-one
InChI:
InChI=1S/C13H22O2/c1-3-4-5-6-7-8-11-12(14)9-10-13(11)15-2/h8,13H,3-7,9-10H2,1-2H3
InChI Key:
NWRJQGMWDGDWEN-UHFFFAOYSA-N
SMILES:
CCCCCC/C=C/1\C(OC)CCC1=O
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.162g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.317g/mol
Monoisotopic Mass:
210.162g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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