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20106-44-9 | Cyclopentanecarboxaldehyde, 2-methyl-, (1R,2R)-rel-
CAS No: 20106-44-9 Catalog No: AG002D76 MDL No:
Product Description
Catalog Number:
AG002D76
Chemical Name:
Cyclopentanecarboxaldehyde, 2-methyl-, (1R,2R)-rel-
CAS Number:
20106-44-9
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
IUPAC Name:
(1R,2R)-2-methylcyclopentane-1-carbaldehyde
InChI:
InChI=1S/C7H12O/c1-6-3-2-4-7(6)5-8/h5-7H,2-4H2,1H3/t6-,7+/m1/s1
InChI Key:
VPIXRTSTGGIYQW-RQJHMYQMSA-N
SMILES:
O=C[C@@H]1CCC[C@H]1C
Properties
Complexity:
88.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
112.089g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.172g/mol
Monoisotopic Mass:
112.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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