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150863-83-5 | 2-Propenoic acid, 3-(4-hydroxy-1-naphthalenyl)-
CAS No: 150863-83-5 Catalog No: AG001MW6 MDL No:
Product Description
Catalog Number:
AG001MW6
Chemical Name:
2-Propenoic acid, 3-(4-hydroxy-1-naphthalenyl)-
CAS Number:
150863-83-5
Molecular Formula:
C13H10O3
Molecular Weight:
214.2167
IUPAC Name:
(E)-3-(4-hydroxynaphthalen-1-yl)prop-2-enoic acid
InChI:
InChI=1S/C13H10O3/c14-12-7-5-9(6-8-13(15)16)10-3-1-2-4-11(10)12/h1-8,14H,(H,15,16)/b8-6+
InChI Key:
QNMRKUFLPDHHHD-SOFGYWHQSA-N
SMILES:
OC(=O)C=Cc1ccc(c2c1cccc2)O
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
214.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.22g/mol
Monoisotopic Mass:
214.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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