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80733-54-6 | 2-Furancarboxaldehyde,5-[(4-methylphenyl)methyl]-
CAS No: 80733-54-6 Catalog No: AG008M4S MDL No:
Product Description
Catalog Number:
AG008M4S
Chemical Name:
2-Furancarboxaldehyde,5-[(4-methylphenyl)methyl]-
CAS Number:
80733-54-6
Molecular Formula:
C13H12O2
Molecular Weight:
200.2332
IUPAC Name:
5-[(4-methylphenyl)methyl]furan-2-carbaldehyde
InChI:
InChI=1S/C13H12O2/c1-10-2-4-11(5-3-10)8-12-6-7-13(9-14)15-12/h2-7,9H,8H2,1H3
InChI Key:
HDVAROZREVFCDR-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)Cc1ccc(cc1)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.237g/mol
Monoisotopic Mass:
200.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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