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AKOS BB-3024

AKOS BB-3024 structure

CAS No:
505071-98-7
Formula:
C15H15NO3
Chemical Name:
AKOS BB-3024
Synonyms:
BENZOIC ACID, 3-(3-FORMYL-2,5-DIMETHYL-1H-PYRROL-1-YL)-4-METHYL-;3-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid(SALTDATA: FREE);ASISCHEM R44412;CHEMBRDG-BB 6468600;AKOS BB-3024;3-(3-FORMYL-2,5-DIMETHYL-1H-PYRROL-1-YL)-4-METHYL-BENZOIC ACID
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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AKOS BB-3024 Basic Attributes

Molecular Weight：

257.28

Exact Mass：

257.105

DSSTox ID：

DTXSID60354319

HScode：

2933990090

Characteristics

PSA：

59.3

XLogP3：

2.5

Density：

1.18g/cm3

Boiling Point：

482.3ºC at 760 mmHg

Flash Point：

245.5ºC

Refractive Index：

1.582

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:257.28
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:257.10519334
Monoisotopic Mass:257.10519334
Topological Polar Surface Area:59.3
Heavy Atom Count:19
Complexity:357
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes