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Home > Aldehydes > 842973-48-2
842973-48-2 | 1-[2-(2-Methoxy-phenoxy)-ethyl]-1H-pyrrole-2-carbaldehyde
CAS No: 842973-48-2 Catalog No: AG01EXNR MDL No:
Product Description
Catalog Number:
AG01EXNR
Chemical Name:
1-[2-(2-Methoxy-phenoxy)-ethyl]-1H-pyrrole-2-carbaldehyde
CAS Number:
842973-48-2
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
IUPAC Name:
1-[2-(2-methoxyphenoxy)ethyl]pyrrole-2-carbaldehyde
InChI:
InChI=1S/C14H15NO3/c1-17-13-6-2-3-7-14(13)18-10-9-15-8-4-5-12(15)11-16/h2-8,11H,9-10H2,1H3
InChI Key:
ZNWNEVWXBZZJJM-UHFFFAOYSA-N
SMILES:
COc1ccccc1OCCn1cccc1C=O
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.278g/mol
Monoisotopic Mass:
245.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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