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189625-96-5 | 2,3-Butadienoic acid, 2-methyl-4-(1-naphthalenyl)-, ethyl ester
CAS No: 189625-96-5 Catalog No: AG002DTI MDL No:
Product Description
Catalog Number:
AG002DTI
Chemical Name:
2,3-Butadienoic acid, 2-methyl-4-(1-naphthalenyl)-, ethyl ester
CAS Number:
189625-96-5
Molecular Formula:
C17H16O2
Molecular Weight:
252.3077
IUPAC Name:
ethyl 2-methyl-4-naphthalen-1-ylbuta-2,3-dienoate
InChI:
InChI=1S/C17H16O2/c1-3-19-17(18)13(2)11-12-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,12H,3H2,1-2H3
InChI Key:
KWQCXZQQYKLCJK-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C=Cc1cccc2c1cccc2)C
Properties
Complexity:
377
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.115g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.313g/mol
Monoisotopic Mass:
252.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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