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Home > Other Heterocycles > 1559853-60-9
1559853-60-9 | 3-{bicyclo[2.2.1]heptan-2-yl}-2-hydroxy-2-methylpropanal
CAS No: 1559853-60-9 Catalog No: AG01AGAJ MDL No:MFCD21951304
Product Description
Catalog Number:
AG01AGAJ
Chemical Name:
3-{bicyclo[2.2.1]heptan-2-yl}-2-hydroxy-2-methylpropanal
CAS Number:
1559853-60-9
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
MDL Number:
MFCD21951304
IUPAC Name:
3-(2-bicyclo[2.2.1]heptanyl)-2-hydroxy-2-methylpropanal
InChI:
InChI=1S/C11H18O2/c1-11(13,7-12)6-10-5-8-2-3-9(10)4-8/h7-10,13H,2-6H2,1H3
InChI Key:
FQECHEVMGHXIRY-UHFFFAOYSA-N
SMILES:
O=CC(CC1CC2CC1CC2)(O)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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