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67698-58-2 | Benzaldehyde, 3-(3-methylphenoxy)-
CAS No: 67698-58-2 Catalog No: AG00643N MDL No:
Product Description
Catalog Number:
AG00643N
Chemical Name:
Benzaldehyde, 3-(3-methylphenoxy)-
CAS Number:
67698-58-2
Molecular Formula:
C14H12O2
Molecular Weight:
212.2439
IUPAC Name:
3-(3-methylphenoxy)benzaldehyde
InChI:
InChI=1S/C14H12O2/c1-11-4-2-6-13(8-11)16-14-7-3-5-12(9-14)10-15/h2-10H,1H3
InChI Key:
HLUFSBKAURHUQC-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)Oc1cccc(c1)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.248g/mol
Monoisotopic Mass:
212.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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