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3-ethyl-2-[2-[(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazole

3-ethyl-2-[2-[(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazole structure

CAS No:
17694-05-2
Formula:
C35H33N2O2+
Chemical Name:
3-ethyl-2-[2-[(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazole
Synonyms:
17694-05-2;AC1L3PJQ;SCHEMBL9480165;DTXSID60276224;2-[(E)-3-[(Z)-3-Ethyl-5-phenylbenzoxazol-2(3H)-ylidene]-2-ethyl-1-propenyl]-3-ethyl-5-phenylbenzoxazolium;3-Ethyl-2-[2-[(3-ethyl-5-phenyl-2(3H)-benzoxazolylidene)methyl]-1-butenyl]-5-phenylbenzoxazolium

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3-ethyl-2-[2-[(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazole Basic Attributes

Molecular Weight：

513.6 g/mol

Exact Mass：

513.254203300 g/mol

DSSTox ID：

DTXSID60276224

Characteristics

PSA：

29.5 Å²

Computed Properties

Molecular Weight:513.6
XLogP3:9.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:513.254203300
Monoisotopic Mass:513.254203300
Topological Polar Surface Area:29.5
Heavy Atom Count:39
Formal Charge:1
Complexity:790
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-ethyl-2-[2-[(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazole

Basic Attributes
Characteristics
Computed Properties

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