CAS
1163135-95-2 Purity
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1163135-95-2 Purity
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Nitecapone
CAS
116313-94-1
Catalog Number
ACM116313941
Category
Other Products
Molecular Weight
265.22
Molecular Formula
C12H11NO6
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Specification
Synonyms
Nitecapone;Nitecapone-13C5
IUPAC Name
3-[(3,4-dihydroxy-5-nitrophenyl)methylidene]pentane-2,4-dione
Canonical SMILES
CC(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C(=O)C
InChI Key
UPMRZALMHVUCIN-UHFFFAOYSA-N
Boiling Point
495.3ºC at 760 mmHg
Flash Point
211.6ºC
Density
1.451g/cm³
Appearance
Yellow Solid
Exact Mass
265.05900
H-Bond Acceptor
6
H-Bond Donor
2
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