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Heptanoic acid, 7-oxo-4-[(1-oxoheptyl)amino]-1,3,5-cycloheptatrien-1-yl ester

Heptanoic acid, 7-oxo-4-[(1-oxoheptyl)amino]-1,3,5-cycloheptatrien-1-yl ester structure

CAS No:
617-18-5
Formula:
C21H31NO4
Chemical Name:
Heptanoic acid, 7-oxo-4-[(1-oxoheptyl)amino]-1,3,5-cycloheptatrien-1-yl ester
Synonyms:
Heptanoic acid,7-oxo-4-[(1-oxoheptyl)amino]-1,3,5-cycloheptatrien-1-yl ester;Heptanoic acid,ester with N-(4-hydroxy-5-oxo-1,3,6-cycloheptatrien-1-yl)heptanamide;Heptanamide,N-(4-hydroxy-5-oxo-1,3,6-cycloheptatrien-1-yl)-,heptanoate;NSC 85781

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Heptanoic acid, 7-oxo-4-[(1-oxoheptyl)amino]-1,3,5-cycloheptatrien-1-yl ester Basic Attributes

Molecular Weight：

361.5 g/mol

Exact Mass：

361.48

NSC Number：

85781

DSSTox ID：

DTXSID20292829

Characteristics

PSA：

72.5 Å²

Computed Properties

Molecular Weight:361.5
XLogP3:5.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:13
Exact Mass:361.22530847
Monoisotopic Mass:361.22530847
Topological Polar Surface Area:72.5
Heavy Atom Count:26
Complexity:573
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Heptanoic acid, 7-oxo-4-[(1-oxoheptyl)amino]-1,3,5-cycloheptatrien-1-yl ester

Basic Attributes
Characteristics
Computed Properties
Learn More Other Chemicals

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