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2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]propanedinitrile

2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]propanedinitrile structure

CAS No:
101756-38-1
Formula:
C11H7N3O4
Chemical Name:
2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]propanedinitrile
Synonyms:
MALONONITRILE, (5-NITROVANILLYLIDENE)-;101756-38-1;2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]propanedinitrile;5-Nitrovanillylidenemalononitrile;ACMC-20m4rr;Oprea1_087808;Oprea1_786471;BDBM4333;CHEMBL307179;DTXSID90144169;MCK100760;Propanedinitrile,2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylene]-;AKOS002952032;MCULE-1517042950;benzylidenemalononitrile (BMN) deriv. 17;SR-01000203377;SR-01000203377-1

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2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]propanedinitrile Basic Attributes

Molecular Weight：

245.19 g/mol

Exact Mass：

245.04365571 g/mol

DSSTox ID：

DTXSID90144169

Characteristics

PSA：

123 Å²

Computed Properties

Molecular Weight:245.19
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:245.04365571
Monoisotopic Mass:245.04365571
Topological Polar Surface Area:123
Heavy Atom Count:18
Complexity:432
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]propanedinitrile

Basic Attributes
Characteristics
Computed Properties

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