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Home > Aldehydes > 114991-69-4
114991-69-4 | Benzaldehyde, 3-methoxy-4-(3-methylbutoxy)-
CAS No: 114991-69-4 Catalog No: AG000FJ8 MDL No:MFCD01459894
Product Description
Catalog Number:
AG000FJ8
Chemical Name:
Benzaldehyde, 3-methoxy-4-(3-methylbutoxy)-
CAS Number:
114991-69-4
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
MDL Number:
MFCD01459894
IUPAC Name:
3-methoxy-4-(3-methylbutoxy)benzaldehyde
InChI:
InChI=1S/C13H18O3/c1-10(2)6-7-16-12-5-4-11(9-14)8-13(12)15-3/h4-5,8-10H,6-7H2,1-3H3
InChI Key:
QMAVUZPWNRBYAO-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)ccc1OCCC(C)C
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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