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2228-92-4 | 1-(3-METHYLBUT-2-EN-1-YL)CYCLOPENTANE-1-CARBALDEHYDE
CAS No: 2228-92-4 Catalog No: AG01BTT1 MDL No:MFCD24679884
Product Description
Catalog Number:
AG01BTT1
Chemical Name:
1-(3-METHYLBUT-2-EN-1-YL)CYCLOPENTANE-1-CARBALDEHYDE
CAS Number:
2228-92-4
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
MDL Number:
MFCD24679884
IUPAC Name:
1-(3-methylbut-2-enyl)cyclopentane-1-carbaldehyde
InChI:
InChI=1S/C11H18O/c1-10(2)5-8-11(9-12)6-3-4-7-11/h5,9H,3-4,6-8H2,1-2H3
InChI Key:
XBENXZOVPQJPKO-UHFFFAOYSA-N
SMILES:
O=CC1(CCCC1)CC=C(C)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.264g/mol
Monoisotopic Mass:
166.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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