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94201-10-2 | alpha,3,3-Trimethylbicyclo(2.2.1)heptane-2-propionaldehyde
CAS No: 94201-10-2 Catalog No: AG006694 MDL No:
Product Description
Catalog Number:
AG006694
Chemical Name:
alpha,3,3-Trimethylbicyclo(2.2.1)heptane-2-propionaldehyde
CAS Number:
94201-10-2
Molecular Formula:
C13H22O
Molecular Weight:
194.3132
IUPAC Name:
3-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpropanal
InChI:
InChI=1S/C13H22O/c1-9(8-14)6-12-10-4-5-11(7-10)13(12,2)3/h8-12H,4-7H2,1-3H3
InChI Key:
ODBLXJITPPQEKN-UHFFFAOYSA-N
SMILES:
O=CC(CC1C2CCC(C1(C)C)C2)C
EC Number:
303-592-1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.167g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.318g/mol
Monoisotopic Mass:
194.167g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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