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127462-79-7 | Benzaldehyde, 3-(1-cyclohexen-1-ylmethyl)-2-hydroxy-4-methoxy-
CAS No: 127462-79-7 Catalog No: AG000X35 MDL No:
Product Description
Catalog Number:
AG000X35
Chemical Name:
Benzaldehyde, 3-(1-cyclohexen-1-ylmethyl)-2-hydroxy-4-methoxy-
CAS Number:
127462-79-7
Molecular Formula:
C15H18O3
Molecular Weight:
246.3016
IUPAC Name:
3-(cyclohexen-1-ylmethyl)-2-hydroxy-4-methoxybenzaldehyde
InChI:
InChI=1S/C15H18O3/c1-18-14-8-7-12(10-16)15(17)13(14)9-11-5-3-2-4-6-11/h5,7-8,10,17H,2-4,6,9H2,1H3
InChI Key:
LSGQVLGJHQRGAS-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1CC1=CCCCC1)O)C=O
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.306g/mol
Monoisotopic Mass:
246.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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