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13026-12-5 | 3-(Naphthalen-1-yl)acrylic acid
CAS No: 13026-12-5 Catalog No: AG003B9X MDL No:MFCD00014317
Product Description
Catalog Number:
AG003B9X
Chemical Name:
3-(Naphthalen-1-yl)acrylic acid
CAS Number:
13026-12-5
Molecular Formula:
C13H10O2
Molecular Weight:
198.2173
MDL Number:
MFCD00014317
IUPAC Name:
(E)-3-naphthalen-1-ylprop-2-enoic acid
InChI:
InChI=1S/C13H10O2/c14-13(15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-9H,(H,14,15)/b9-8+
InChI Key:
WPXMLUUYWNHQOR-CMDGGOBGSA-N
SMILES:
OC(=O)C=Cc1cccc2c1cccc2
EC Number:
235-887-5
NSC Number:
99085
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
198.068g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.221g/mol
Monoisotopic Mass:
198.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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