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13080-43-8 | 2-Naphthalenol, 2-propanoate
CAS No: 13080-43-8 Catalog No: AG000UZ0 MDL No:
Product Description
Catalog Number:
AG000UZ0
Chemical Name:
2-Naphthalenol, 2-propanoate
CAS Number:
13080-43-8
Molecular Formula:
C13H12O2
Molecular Weight:
200.2332
IUPAC Name:
naphthalen-2-yl propanoate
InChI:
InChI=1S/C13H12O2/c1-2-13(14)15-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3
InChI Key:
KVMXEPJRCAPKJL-UHFFFAOYSA-N
SMILES:
CCC(=O)Oc1ccc2c(c1)cccc2
EC Number:
235-984-2
NSC Number:
406861
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.237g/mol
Monoisotopic Mass:
200.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| An inserted α/β subdomain shapes the catalytic pocket of Lactobacillus johnsonii cinnamoyl esterase. | PloS one 20110101 |
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