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TIMTEC-BB SBB010636

TIMTEC-BB SBB010636 structure

CAS No:
115122-63-9
Formula:
C9H9NO3
Chemical Name:
TIMTEC-BB SBB010636
Synonyms:
TIMTEC-BB SBB010636;2-OXO-2,5,6,7-TETRAHYDRO-1H-[1]PYRINDINE-3-CARBOXYLIC ACID;VITAS-BB TBB013110;2-Hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylicacid;2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carboxylic acid(SALTDATA: FREE);2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carboxylic acid;2,5,6,7-tetrahydro-2-oxo-1H-Cyclopenta[b]pyridine-3-carboxylic acid
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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TIMTEC-BB SBB010636 Basic Attributes

Molecular Weight：

179.174

Exact Mass：

179.05800

DSSTox ID：

DTXSID80424447

HScode：

2933790090

Characteristics

PSA：

70.16000

XLogP3：

0.56180

Density：

1.42±0.1 g/cm3(Predicted)

Boiling Point：

556.7±42.0 °C(Predicted)

Flash Point：

224.441ºC

Refractive Index：

1.661

Vapor Pressure：

0mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

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

Computed Properties

Molecular Weight:179.17
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:179.058243149
Monoisotopic Mass:179.058243149
Topological Polar Surface Area:66.4
Heavy Atom Count:13
Complexity:352
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes