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13151-53-6 | Cycloheptane, 1,3-dimethyl-, (1R,3S)-rel-
CAS No: 13151-53-6 Catalog No: AG000ZB5 MDL No:
Product Description
Catalog Number:
AG000ZB5
Chemical Name:
Cycloheptane, 1,3-dimethyl-, (1R,3S)-rel-
CAS Number:
13151-53-6
Molecular Formula:
C9H18
Molecular Weight:
126.2392
IUPAC Name:
1,3-dimethylcycloheptane
InChI:
InChI=1S/C9H18/c1-8-5-3-4-6-9(2)7-8/h8-9H,3-7H2,1-2H3
InChI Key:
PTWXFJWKUMXFLI-UHFFFAOYSA-N
SMILES:
C[C@@H]1CCCC[C@@H](C1)C
Properties
Complexity:
66.1
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:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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