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NSC406046

NSC406046 structure

CAS No:
7510-08-9
Formula:
C17H17NO2
Chemical Name:
NSC406046
Synonyms:
NSC406046;Benzenebutanamide, γ-oxo-N-(phenylmethyl)-

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NSC406046 Basic Attributes

Molecular Weight：

267.33

Exact Mass：

267.125928785 g/mol

NSC Number：

406046

DSSTox ID：

DTXSID80324216

Characteristics

PSA：

46.2 Å²

Density：

1.127±0.06 g/cm3

Melting Point：

110-112 °C(Solv: ethanol (64-17-5))

Boiling Point：

509.4±43.0 °C(Predicted)

Water Solubility：

>40.1 [ug/mL]

PKA：

15.79±0.46

Computed Properties

Molecular Weight:267.32
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:267.125928785
Monoisotopic Mass:267.125928785
Topological Polar Surface Area:46.2
Heavy Atom Count:20
Complexity:315
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: acetate charge; sicl4; isobutylene; acrylic polymer; ethylhexyl methoxycinnamate; potassium fluoride

Guide of NSC406046

Basic Attributes
Characteristics
Computed Properties

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