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P-HYDROXYBENZOYLECGONINE

P-HYDROXYBENZOYLECGONINE structure

CAS No:
90899-22-2
Formula:
C16H19NO5
Chemical Name:
P-HYDROXYBENZOYLECGONINE
Synonyms:
4-hydroxybenzoylecgonine;p-OHBZE;UNII-6X7BR62K04;CTK3I5954;DTXSID30745452;6X7BR62K04;ZINC28098940;p-Hydroxybenzoylecgonine, analytical standard;Q27265657
Categories:
Analytical Chemistry > Standard

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P-HYDROXYBENZOYLECGONINE Basic Attributes

Molecular Weight：

305.32576

Exact Mass：

305.126

UNII：

6X7BR62K04

DSSTox ID：

DTXSID30745452

Characteristics

PSA：

87.1

XLogP3：

-0.7

Storage Conditions：

−20°C

Safety Information

wgk germany：

hazard class code：

20/21/22-43

safety instructions：

22-26-36/37/39

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P321, P322, P330, P333+P313, P363, P501

Hazard Statements：

H302

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：

4-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:446
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes