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554407-95-3 | 4-(adamantan-1-ylmethoxy)-3-ethoxybenzaldehyde
CAS No: 554407-95-3 Catalog No: AG019OII MDL No:MFCD03973211
Product Description
Catalog Number:
AG019OII
Chemical Name:
4-(adamantan-1-ylmethoxy)-3-ethoxybenzaldehyde
CAS Number:
554407-95-3
Molecular Formula:
C20H26O3
Molecular Weight:
314.4186
MDL Number:
MFCD03973211
IUPAC Name:
4-(1-adamantylmethoxy)-3-ethoxybenzaldehyde
InChI:
InChI=1S/C20H26O3/c1-2-22-19-8-14(12-21)3-4-18(19)23-13-20-9-15-5-16(10-20)7-17(6-15)11-20/h3-4,8,12,15-17H,2,5-7,9-11,13H2,1H3
InChI Key:
VXEULDKIQKAPHL-UHFFFAOYSA-N
SMILES:
CCOc1cc(C=O)ccc1OCC12CC3CC(C2)CC(C1)C3
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.188g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.425g/mol
Monoisotopic Mass:
314.188g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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