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M-HYDROXYBENZOYLECGONINE

M-HYDROXYBENZOYLECGONINE structure

CAS No:
129944-99-6
Formula:
C16H19NO5
Chemical Name:
M-HYDROXYBENZOYLECGONINE
Synonyms:
M-HYDROXYBENZOYLECGONINE;M-HYDROXYBENZOYLECGONINE >97%;3-hydroxybenzoylecgonine;m-Hydroxybenzoylecgonine solution
Categories:
Analytical Chemistry > Standard

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M-HYDROXYBENZOYLECGONINE Basic Attributes

Molecular Weight：

305.33

Exact Mass：

305.12600

Characteristics

PSA：

87.1

XLogP3：

1.42280

Density：

1.38g/cm3

Boiling Point：

513.9ºC at 760mmHg

Flash Point：

9℃

Refractive Index：

1.625

Storage Conditions：

−20°C

Safety Information

Transport codes：

UN1230 - class 3 - PG 2 - Methanol, solution

wgk germany：

hazard class code：

20/21/22-43-39/23/24/25-23/24/25-11

safety instructions：

22-26-36/37/39-45-36/37-16

Marks：

Xn,T,F

Precautionary statement(s)：

P210-P260-P280-P301 + P310-P311

Hazard Statements：

H225-H301 + H311 + H331-H370

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P321, P322, P330, P333+P313, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3-hydroxybenzoylecgonine

Computed Properties

Molecular Weight:305.32
XLogP3:-0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:305.12632271
Monoisotopic Mass:305.12632271
Topological Polar Surface Area:87.1
Heavy Atom Count:22
Complexity:454
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes