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13151-55-8 | Cycloheptane, ethyl-
CAS No: 13151-55-8 Catalog No: AG000ZB4 MDL No:MFCD07780474
Product Description
Catalog Number:
AG000ZB4
Chemical Name:
Cycloheptane, ethyl-
CAS Number:
13151-55-8
Molecular Formula:
C9H18
Molecular Weight:
126.2392
MDL Number:
MFCD07780474
IUPAC Name:
ethylcycloheptane
InChI:
InChI=1S/C9H18/c1-2-9-7-5-3-4-6-8-9/h9H,2-8H2,1H3
InChI Key:
ITZHTNFXLDFAPB-UHFFFAOYSA-N
SMILES:
CCC1CCCCCC1
Properties
Complexity:
58.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.141g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.243g/mol
Monoisotopic Mass:
126.141g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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