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70485-62-0 | 1-Naphthalenecarboxaldehyde, 4-(acetyloxy)-
CAS No: 70485-62-0 Catalog No: AG005UGL MDL No:
Product Description
Catalog Number:
AG005UGL
Chemical Name:
1-Naphthalenecarboxaldehyde, 4-(acetyloxy)-
CAS Number:
70485-62-0
Molecular Formula:
C13H10O3
Molecular Weight:
214.2167
IUPAC Name:
(4-formylnaphthalen-1-yl) acetate
InChI:
InChI=1S/C13H10O3/c1-9(15)16-13-7-6-10(8-14)11-4-2-3-5-12(11)13/h2-8H,1H3
InChI Key:
RPKGHSQSLORRGV-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c2c1cccc2)OC(=O)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.22g/mol
Monoisotopic Mass:
214.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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