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Home > Aldehydes > 101267-79-2
101267-79-2 | 3-Methoxy-2-iso-pentoxybenzaldehyde
CAS No: 101267-79-2 Catalog No: AG01FDOM MDL No:
Product Description
Catalog Number:
AG01FDOM
Chemical Name:
3-Methoxy-2-iso-pentoxybenzaldehyde
CAS Number:
101267-79-2
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
3-methoxy-2-(3-methylbutoxy)benzaldehyde
InChI:
InChI=1S/C13H18O3/c1-10(2)7-8-16-13-11(9-14)5-4-6-12(13)15-3/h4-6,9-10H,7-8H2,1-3H3
InChI Key:
YXDBDUNVRLTQPU-UHFFFAOYSA-N
SMILES:
COc1cccc(c1OCCC(C)C)C=O
Properties
Complexity:
203
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:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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