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88400-78-6 | Cyclopentanone, 2-(3-methoxypropyl)-2,4,4-trimethyl-
CAS No: 88400-78-6 Catalog No: AG004L8I MDL No:
Product Description
Catalog Number:
AG004L8I
Chemical Name:
Cyclopentanone, 2-(3-methoxypropyl)-2,4,4-trimethyl-
CAS Number:
88400-78-6
Molecular Formula:
C12H22O2
Molecular Weight:
198.3019
IUPAC Name:
2-(3-methoxypropyl)-2,4,4-trimethylcyclopentan-1-one
InChI:
InChI=1S/C12H22O2/c1-11(2)8-10(13)12(3,9-11)6-5-7-14-4/h5-9H2,1-4H3
InChI Key:
BPHGOUFYMJCERH-UHFFFAOYSA-N
SMILES:
COCCCC1(C)CC(CC1=O)(C)C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.162g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.306g/mol
Monoisotopic Mass:
198.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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