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119649-27-3 | Butanal, 4-[(4-methoxyphenyl)methoxy]-
CAS No: 119649-27-3 Catalog No: AG000PEY MDL No:
Product Description
Catalog Number:
AG000PEY
Chemical Name:
Butanal, 4-[(4-methoxyphenyl)methoxy]-
CAS Number:
119649-27-3
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
IUPAC Name:
4-[(4-methoxyphenyl)methoxy]butanal
InChI:
InChI=1S/C12H16O3/c1-14-12-6-4-11(5-7-12)10-15-9-3-2-8-13/h4-8H,2-3,9-10H2,1H3
InChI Key:
PDTXEOPUVZXZJR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)COCCCC=O
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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