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131375-69-4 | Pentanal, 5-[(4-methoxyphenyl)methoxy]-
CAS No: 131375-69-4 Catalog No: AG000W22 MDL No:
Product Description
Catalog Number:
AG000W22
Chemical Name:
Pentanal, 5-[(4-methoxyphenyl)methoxy]-
CAS Number:
131375-69-4
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
5-[(4-methoxyphenyl)methoxy]pentanal
InChI:
InChI=1S/C13H18O3/c1-15-13-7-5-12(6-8-13)11-16-10-4-2-3-9-14/h5-9H,2-4,10-11H2,1H3
InChI Key:
CWHXMXWYZGFHBL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)COCCCCC=O
Properties
Complexity:
174
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:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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