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apocaffeine

apocaffeine structure

CAS No:
5638-41-5
Formula:
C7H7N3O5
Chemical Name:
apocaffeine
Synonyms:
Apocaffeine

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apocaffeine Basic Attributes

Molecular Weight：

199.166

Exact Mass：

199.059

Characteristics

PSA：

XLogP3：

-1.2

Computed Properties

Molecular Weight:199.16
XLogP3:-1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:199.05930578
Monoisotopic Mass:199.05930578
Topological Polar Surface Area:79
Heavy Atom Count:14
Complexity:342
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of apocaffeine

Basic Attributes
Characteristics
Computed Properties

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