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160093-24-3 | Benzenepropanal, 4-methoxy-beta-methyl-
CAS No: 160093-24-3 Catalog No: AG01FCFX MDL No:
Product Description
Catalog Number:
AG01FCFX
Chemical Name:
Benzenepropanal, 4-methoxy-beta-methyl-
CAS Number:
160093-24-3
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
3-(4-methoxyphenyl)butanal
InChI:
InChI=1S/C11H14O2/c1-9(7-8-12)10-3-5-11(13-2)6-4-10/h3-6,8-9H,7H2,1-2H3
InChI Key:
WXPHSQPAGVEDBR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(CC=O)C
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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