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Home > Aldehydes > 152246-70-3
152246-70-3 | 1-Cyclohexene-1-carboxaldehyde,3-hydroxy-4-(1-methylethyl)-, (3R,4S)-rel-
CAS No: 152246-70-3 Catalog No: AG007YNR MDL No:MFCD18832490
Product Description
Catalog Number:
AG007YNR
Chemical Name:
1-Cyclohexene-1-carboxaldehyde,3-hydroxy-4-(1-methylethyl)-, (3R,4S)-rel-
CAS Number:
152246-70-3
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
MDL Number:
MFCD18832490
IUPAC Name:
(3R,4S)-3-hydroxy-4-propan-2-ylcyclohexene-1-carbaldehyde
InChI:
InChI=1S/C10H16O2/c1-7(2)9-4-3-8(6-11)5-10(9)12/h5-7,9-10,12H,3-4H2,1-2H3/t9-,10-/m0/s1
InChI Key:
ZPACRXLIAKZISA-UWVGGRQHSA-N
SMILES:
O=CC1=C[C@H]([C@H](CC1)C(C)C)O
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Polyoxygenated eudesmanes and trans-chrysanthemanes from the aerial parts of Santolina insularis. | Journal of natural products 20040101 |
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