1-(Hydroxymethyl)cyclopropanecarbonitrile - CAS 98730-77-9

Catalog:	BB042212
Product Name:	1-(Hydroxymethyl)cyclopropanecarbonitrile
CAS:	98730-77-9
Synonyms:	1-(hydroxymethyl)-1-cyclopropanecarbonitrile; 1-(hydroxymethyl)cyclopropane-1-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	1-(hydroxymethyl)cyclopropane-1-carbonitrile
Description:	1-(Hydroxymethyl)cyclopropanecarbonitrile (CAS# 98730-77-9) is a useful research chemical.
Molecular Weight:	97.12
Molecular Formula:	C5H7NO
Canonical SMILES:	C1CC1(CO)C#N
InChI:	InChI=1S/C5H7NO/c6-3-5(4-7)1-2-5/h7H,1-2,4H2
InChI Key:	QMCQBAJOOAMKBX-UHFFFAOYSA-N
Appearance:	Liquid
MDL:	MFCD11042632
LogP:	0.28248

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	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
Signal Word:	Warning

Complexity:	117
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	97.052763847
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	97.052763847
Rotatable Bond Count:	1
Topological Polar Surface Area:	44 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4