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OTAVA-BBBB7118560909

OTAVA-BBBB7118560909 structure

CAS No:
3284-47-7
Formula:
C8H11NO2
Chemical Name:
OTAVA-BBBB7118560909
Synonyms:
1H-PYRROLE-2-CARBOXYLIC ACID, 3-METHYL-, ETHYL ESTER;AKOS A0602-0540;OTAVA-BB BB7118560909;ethyl 3-methyl-1H-pyrrole-2-carboxylate;Ethyl 3-Methyl-1H-pyrrole...;1H-PYRROLE-2-CARBOXYLIC ACID, 3-METHYL-;3-Methyl-1H-pyrrole-2-carboxylic acid ethyl ester;Pyrrole-2-carboxylic acid, 3-methyl-, ethyl ester
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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OTAVA-BBBB7118560909 Basic Attributes

Molecular Weight：

153.18

Exact Mass：

153.078978594

HScode：

2933990090

Characteristics

PSA：

42.09000

XLogP3：

1.49980

Density：

1.106

Melting Point：

56 °C

Boiling Point：

270-290 °C

Refractive Index：

1.517

PKA：

15.54±0.50

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:153.18
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:153.078978594
Monoisotopic Mass:153.078978594
Topological Polar Surface Area:42.1
Heavy Atom Count:11
Complexity:147
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes