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88245-95-8 | Cyclopentanecarboxaldehyde, 1-(1-methyl-3-oxobutyl)-
CAS No: 88245-95-8 Catalog No: AG004AYB MDL No:
Product Description
Catalog Number:
AG004AYB
Chemical Name:
Cyclopentanecarboxaldehyde, 1-(1-methyl-3-oxobutyl)-
CAS Number:
88245-95-8
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
1-(4-oxopentan-2-yl)cyclopentane-1-carbaldehyde
InChI:
InChI=1S/C11H18O2/c1-9(7-10(2)13)11(8-12)5-3-4-6-11/h8-9H,3-7H2,1-2H3
InChI Key:
NMASVQWSCMKNHC-UHFFFAOYSA-N
SMILES:
O=CC1(CCCC1)C(CC(=O)C)C
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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