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40050-12-2 | Cyclopentanecarboxaldehyde, 2-oxo-1-(3-oxobutyl)-
CAS No: 40050-12-2 Catalog No: AG0075UW MDL No:
Product Description
Catalog Number:
AG0075UW
Chemical Name:
Cyclopentanecarboxaldehyde, 2-oxo-1-(3-oxobutyl)-
CAS Number:
40050-12-2
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
2-oxo-1-(3-oxobutyl)cyclopentane-1-carbaldehyde
InChI:
InChI=1S/C10H14O3/c1-8(12)4-6-10(7-11)5-2-3-9(10)13/h7H,2-6H2,1H3
InChI Key:
BYWRBJNLUQTBSV-UHFFFAOYSA-N
SMILES:
O=CC1(CCCC1=O)CCC(=O)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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