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124609-17-2 | Benzaldehyde, 4-(1-cyclohexen-1-ylmethyl)-3,5-dimethoxy-
CAS No: 124609-17-2 Catalog No: AG000MGP MDL No:
Product Description
Catalog Number:
AG000MGP
Chemical Name:
Benzaldehyde, 4-(1-cyclohexen-1-ylmethyl)-3,5-dimethoxy-
CAS Number:
124609-17-2
Molecular Formula:
C16H20O3
Molecular Weight:
260.3282
IUPAC Name:
4-(cyclohexen-1-ylmethyl)-3,5-dimethoxybenzaldehyde
InChI:
InChI=1S/C16H20O3/c1-18-15-9-13(11-17)10-16(19-2)14(15)8-12-6-4-3-5-7-12/h6,9-11H,3-5,7-8H2,1-2H3
InChI Key:
KKTINGZTIFBJFP-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)cc(c1CC1=CCCCC1)OC
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.141g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.333g/mol
Monoisotopic Mass:
260.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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