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117356-47-5 | 2-Naphthaleneacetic acid, 7-propoxy-
CAS No: 117356-47-5 Catalog No: AG000E6N MDL No:
Product Description
Catalog Number:
AG000E6N
Chemical Name:
2-Naphthaleneacetic acid, 7-propoxy-
CAS Number:
117356-47-5
Molecular Formula:
C15H16O3
Molecular Weight:
244.2857
IUPAC Name:
2-(7-propoxynaphthalen-2-yl)acetic acid
InChI:
InChI=1S/C15H16O3/c1-2-7-18-14-6-5-12-4-3-11(9-15(16)17)8-13(12)10-14/h3-6,8,10H,2,7,9H2,1H3,(H,16,17)
InChI Key:
JDVMWKIXWQMYBU-UHFFFAOYSA-N
SMILES:
CCCOc1ccc2c(c1)cc(cc2)CC(=O)O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.29g/mol
Monoisotopic Mass:
244.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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