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Home > Aldehydes > 118791-48-3
118791-48-3 | 4-methoxy-3-(pentyloxy)benzaldehyde
CAS No: 118791-48-3 Catalog No: AG01A802 MDL No:MFCD06742799
Product Description
Catalog Number:
AG01A802
Chemical Name:
4-methoxy-3-(pentyloxy)benzaldehyde
CAS Number:
118791-48-3
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
MDL Number:
MFCD06742799
IUPAC Name:
4-methoxy-3-pentoxybenzaldehyde
InChI:
InChI=1S/C13H18O3/c1-3-4-5-8-16-13-9-11(10-14)6-7-12(13)15-2/h6-7,9-10H,3-5,8H2,1-2H3
InChI Key:
RBKOEPNLFQXHJD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OCCCCC)C=O
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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