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116340-87-5 | 2,4-Pentadienoic acid, 2-azido-5,5-diphenyl-, methyl ester
CAS No: 116340-87-5 Catalog No: AG000C8V MDL No:
Product Description
Catalog Number:
AG000C8V
Chemical Name:
2,4-Pentadienoic acid, 2-azido-5,5-diphenyl-, methyl ester
CAS Number:
116340-87-5
Molecular Formula:
C18H15N3O2
Molecular Weight:
305.3306
IUPAC Name:
methyl 2-azido-5,5-diphenylpenta-2,4-dienoate
InChI:
InChI=1S/C18H15N3O2/c1-23-18(22)17(20-21-19)13-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13H,1H3
InChI Key:
OAAFPVRNZPKDEC-UHFFFAOYSA-N
SMILES:
COC(=O)C(=CC=C(c1ccccc1)c1ccccc1)N=[N+]=[N-]
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.116g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.337g/mol
Monoisotopic Mass:
305.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.9
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