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14398-40-4 | beta-C14-Aldehyde
CAS No: 14398-40-4 Catalog No: AG00AVLT MDL No:
Product Description
Catalog Number:
AG00AVLT
Chemical Name:
beta-C14-Aldehyde
CAS Number:
14398-40-4
IUPAC Name:
(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enal
InChI:
InChI=1S/C14H22O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h7,10H,5-6,8-9H2,1-4H3/b11-7+
InChI Key:
FJCQUJKUMKZEMH-YRNVUSSQSA-N
EC Number:
221-597-6
UNII:
FM3V4NH1Y6
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
206.167g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.329g/mol
Monoisotopic Mass:
206.167g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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