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203312-05-4 | Cycloheptanone, 3-ethyl-, (3R)-
CAS No: 203312-05-4 Catalog No: AG0028T2 MDL No:
Product Description
Catalog Number:
AG0028T2
Chemical Name:
Cycloheptanone, 3-ethyl-, (3R)-
CAS Number:
203312-05-4
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
IUPAC Name:
(3R)-3-ethylcycloheptan-1-one
InChI:
InChI=1S/C9H16O/c1-2-8-5-3-4-6-9(10)7-8/h8H,2-7H2,1H3/t8-/m1/s1
InChI Key:
UYVYAGKZXABQIC-MRVPVSSYSA-N
SMILES:
CC[C@@H]1CCCCC(=O)C1
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
140.12g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.226g/mol
Monoisotopic Mass:
140.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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