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17295-26-0 | 6-Acetoxy-2-naphthoic acid
CAS No: 17295-26-0 Catalog No: AG003N1T MDL No:MFCD00059556
Product Description
Catalog Number:
AG003N1T
Chemical Name:
6-Acetoxy-2-naphthoic acid
CAS Number:
17295-26-0
Molecular Formula:
C13H10O4
Molecular Weight:
230.2161
MDL Number:
MFCD00059556
IUPAC Name:
6-acetyloxynaphthalene-2-carboxylic acid
InChI:
InChI=1S/C13H10O4/c1-8(14)17-12-5-4-9-6-11(13(15)16)3-2-10(9)7-12/h2-7H,1H3,(H,15,16)
InChI Key:
NFTLBCXRDNIJMI-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc2c(c1)ccc(c2)C(=O)O
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.058g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.219g/mol
Monoisotopic Mass:
230.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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