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5-methyl-1-phenylhexan-3-one

5-methyl-1-phenylhexan-3-one structure

CAS No:
78987-82-3
Formula:
C13H18O
Chemical Name:
5-methyl-1-phenylhexan-3-one
Synonyms:
5-methyl-1-phenyl-3-hexanone;5-methyl-1-phenylhexan-3-one;78987-82-3;NSC93965;SCHEMBL110046;5-Methyl-1-phenyl-hexan-3-one;DTXSID90294072;ZINC1609602;NSC-93965;AKOS010013924;MCULE-8624449699;DS-005738

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5-methyl-1-phenylhexan-3-one Basic Attributes

Molecular Weight：

190.28 g/mol

Exact Mass：

190.135765193 g/mol

NSC Number：

93965

DSSTox ID：

DTXSID90294072

Characteristics

PSA：

17.1 Å²

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:190.28
XLogP3:3.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:190.135765193
Monoisotopic Mass:190.135765193
Topological Polar Surface Area:17.1
Heavy Atom Count:14
Complexity:166
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-methyl-1-phenylhexan-3-one

Basic Attributes
Characteristics
Safety Information
Computed Properties

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