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784153-68-0 | Butanedioic acid, (2-naphthalenylmethylene)-, diethyl ester
CAS No: 784153-68-0 Catalog No: AG0053JL MDL No:
Product Description
Catalog Number:
AG0053JL
Chemical Name:
Butanedioic acid, (2-naphthalenylmethylene)-, diethyl ester
CAS Number:
784153-68-0
Molecular Formula:
C19H20O4
Molecular Weight:
312.3597
IUPAC Name:
diethyl 2-(naphthalen-2-ylmethylidene)butanedioate
InChI:
InChI=1S/C19H20O4/c1-3-22-18(20)13-17(19(21)23-4-2)12-14-9-10-15-7-5-6-8-16(15)11-14/h5-12H,3-4,13H2,1-2H3
InChI Key:
IXYNTPINCHNYIM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=Cc1ccc2c(c1)cccc2)CC(=O)OCC
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.136g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.365g/mol
Monoisotopic Mass:
312.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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