1-Ethylpyrrole-2-carbaldehyde - CAS 2167-14-8

Catalog:	BB017064
Product Name:	1-Ethylpyrrole-2-carbaldehyde
CAS:	2167-14-8
Synonyms:	1-ethyl-2-pyrrolecarboxaldehyde; 1-ethylpyrrole-2-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	1-ethylpyrrole-2-carbaldehyde
Description:	1-Ethylpyrrole-2-carbaldehyde (CAS# 2167-14-8) is a useful research chemical.
Molecular Weight:	123.15
Molecular Formula:	C7H9NO
Canonical SMILES:	CCN1C=CC=C1C=O
InChI:	InChI=1S/C7H9NO/c1-2-8-5-3-4-7(8)6-9/h3-6H,2H2,1H3
InChI Key:	DVLGEHCERRWDIX-UHFFFAOYSA-N
Boiling Point:	204.00 to 206.00 °C at 760.00 mm Hg
Density:	1.033 - 1.039
Solubility:	3927 mg/L at 25 °C (est)
Appearance:	Clear colorless to yellow liquid
LogP:	1.32050

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Carbonyl Compounds

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	123.068413911
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	123.068413911
Rotatable Bond Count:	2
Topological Polar Surface Area:	22 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8