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67845-46-9 | (4-Methylphenoxy)acetaldehyde
CAS No: 67845-46-9 Catalog No: AG006IJH MDL No:
Product Description
Catalog Number:
AG006IJH
Chemical Name:
(4-Methylphenoxy)acetaldehyde
CAS Number:
67845-46-9
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
IUPAC Name:
2-(4-methylphenoxy)acetaldehyde
InChI:
InChI=1S/C9H10O2/c1-8-2-4-9(5-3-8)11-7-6-10/h2-6H,7H2,1H3
InChI Key:
KWNAUDMYKHHEOA-UHFFFAOYSA-N
SMILES:
O=CCOc1ccc(cc1)C
EC Number:
267-317-6
UNII:
HQL6T929HS
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.177g/mol
Monoisotopic Mass:
150.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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