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10154-97-9 | Propanoic acid, 2-[(4-hydroxy-1-naphthalenyl)oxy]-
CAS No: 10154-97-9 Catalog No: AG0004R2 MDL No:
Product Description
Catalog Number:
AG0004R2
Chemical Name:
Propanoic acid, 2-[(4-hydroxy-1-naphthalenyl)oxy]-
CAS Number:
10154-97-9
Molecular Formula:
C13H12O4
Molecular Weight:
232.2320
IUPAC Name:
2-(4-hydroxynaphthalen-1-yl)oxypropanoic acid
InChI:
InChI=1S/C13H12O4/c1-8(13(15)16)17-12-7-6-11(14)9-4-2-3-5-10(9)12/h2-8,14H,1H3,(H,15,16)
InChI Key:
MFSBBXLGJBDALP-UHFFFAOYSA-N
SMILES:
OC(=O)C(Oc1ccc(c2c1cccc2)O)C
EC Number:
233-425-7
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.235g/mol
Monoisotopic Mass:
232.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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