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20176-11-8 | 2-Naphthalenecarboxylic acid, anhydride with 2-naphthalenecarboxylic acid
CAS No: 20176-11-8 Catalog No: AG0027TV MDL No:
Product Description
Catalog Number:
AG0027TV
Chemical Name:
2-Naphthalenecarboxylic acid, anhydride with 2-naphthalenecarboxylic acid
CAS Number:
20176-11-8
Molecular Formula:
C22H14O3
Molecular Weight:
326.3448
IUPAC Name:
naphthalene-2-carbonyl naphthalene-2-carboxylate
InChI:
InChI=1S/C22H14O3/c23-21(19-11-9-15-5-1-3-7-17(15)13-19)25-22(24)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H
InChI Key:
YKFDZICYFPICJW-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)cccc2)OC(=O)c1ccc2c(c1)cccc2
NSC Number:
509714
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.094g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.351g/mol
Monoisotopic Mass:
326.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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