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94201-30-6 | ALPHA,2,2,3-TETRAMETHYLCYCLOPENTANEBUTYRALDEHYDE
CAS No: 94201-30-6 Catalog No: AG006OMK MDL No:
Product Description
Catalog Number:
AG006OMK
Chemical Name:
ALPHA,2,2,3-TETRAMETHYLCYCLOPENTANEBUTYRALDEHYDE
CAS Number:
94201-30-6
Molecular Formula:
C13H24O
Molecular Weight:
196.3291
IUPAC Name:
2-methyl-4-(2,2,3-trimethylcyclopentyl)butanal
InChI:
InChI=1S/C13H24O/c1-10(9-14)5-7-12-8-6-11(2)13(12,3)4/h9-12H,5-8H2,1-4H3
InChI Key:
GUYGVAVSYCHUCB-UHFFFAOYSA-N
SMILES:
O=CC(CCC1CCC(C1(C)C)C)C
EC Number:
303-615-5
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.183g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.334g/mol
Monoisotopic Mass:
196.183g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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