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104306-72-1 | 5-Methylnaphthalene-1-carboxaldehyde
CAS No: 104306-72-1 Catalog No: AG008XXY MDL No:MFCD17012469
Product Description
Catalog Number:
AG008XXY
Chemical Name:
5-Methylnaphthalene-1-carboxaldehyde
CAS Number:
104306-72-1
Molecular Formula:
C12H10O
Molecular Weight:
170.2072
MDL Number:
MFCD17012469
IUPAC Name:
5-methylnaphthalene-1-carbaldehyde
InChI:
InChI=1S/C12H10O/c1-9-4-2-7-12-10(8-13)5-3-6-11(9)12/h2-8H,1H3
InChI Key:
ZIEGRROGVACHKT-UHFFFAOYSA-N
SMILES:
O=Cc1cccc2c1cccc2C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.073g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.211g/mol
Monoisotopic Mass:
170.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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