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70080-13-6 | 2-Naphthaleneacetaldehyde
CAS No: 70080-13-6 Catalog No: AG005R6L MDL No:
Product Description
Catalog Number:
AG005R6L
Chemical Name:
2-Naphthaleneacetaldehyde
CAS Number:
70080-13-6
Molecular Formula:
C12H10O
Molecular Weight:
170.2072
IUPAC Name:
2-naphthalen-2-ylacetaldehyde
InChI:
InChI=1S/C12H10O/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,8-9H,7H2
InChI Key:
ZONWDLKOOMKAKI-UHFFFAOYSA-N
SMILES:
O=CCc1ccc2c(c1)cccc2
Properties
Complexity:
176
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:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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