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113816-26-5 | 2-Butenoic acid, 4-(1-naphthalenyl)-4-oxo-, (2E)-
CAS No: 113816-26-5 Catalog No: AG0009SB MDL No:
Product Description
Catalog Number:
AG0009SB
Chemical Name:
2-Butenoic acid, 4-(1-naphthalenyl)-4-oxo-, (2E)-
CAS Number:
113816-26-5
Molecular Formula:
C14H10O3
Molecular Weight:
226.2274
IUPAC Name:
4-naphthalen-1-yl-4-oxobut-2-enoic acid
InChI:
InChI=1S/C14H10O3/c15-13(8-9-14(16)17)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,16,17)
InChI Key:
PFTQWZDYAKHSDM-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/C(=O)c1cccc2c1cccc2
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.063g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.231g/mol
Monoisotopic Mass:
226.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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