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136415-67-3 | 2-Naphthalenepropanal
CAS No: 136415-67-3 Catalog No: AG0038AT MDL No:
Product Description
Catalog Number:
AG0038AT
Chemical Name:
2-Naphthalenepropanal
CAS Number:
136415-67-3
Molecular Formula:
C13H12O
Molecular Weight:
184.2338
IUPAC Name:
3-naphthalen-2-ylpropanal
InChI:
InChI=1S/C13H12O/c14-9-3-4-11-7-8-12-5-1-2-6-13(12)10-11/h1-2,5-10H,3-4H2
InChI Key:
JLJHTAFOYPSITN-UHFFFAOYSA-N
SMILES:
O=CCCc1ccc2c(c1)cccc2
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.089g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.238g/mol
Monoisotopic Mass:
184.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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