1,1-Bis(hydroxymethyl)cyclopropane - CAS 39590-81-3

Catalog:	BB024048
Product Name:	1,1-Bis(hydroxymethyl)cyclopropane
CAS:	39590-81-3
Synonyms:	[1-(hydroxymethyl)cyclopropyl]methanol

Technical Data

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Computed Properties

IUPAC Name:	[1-(hydroxymethyl)cyclopropyl]methanol
Description:	1,1-Bis(hydroxymethyl)cyclopropane (CAS# 39590-81-3) is used in the synthesis of morphine alkaloids. It also serves as an inhibitor of 5-lipoxygenase.
Molecular Weight:	102.13
Molecular Formula:	C5H10O2
Canonical SMILES:	C1CC1(CO)CO
InChI:	InChI=1S/C5H10O2/c6-3-5(4-7)1-2-5/h6-7H,1-4H2
InChI Key:	YAINYZJQSQEGND-UHFFFAOYSA-N
Boiling Point:	235-236 °C
Purity:	95 %
Density:	1.065 g/cm³
MDL:	MFCD00464207
LogP:	-0.24880

Publication Number	Title	Priority Date
CN-112851630-A	Production method of montelukast sodium side chain intermediate	20210105
CN-112094212-A	Preparation method of montelukast sodium side chain	20200907
KR-20210093155-A	Novel compound, preparation method thereof, and use thereof	20200117
WO-2021145729-A1	Novel compound, preparation method thereof, and use thereof	20200117
JP-2021107490-A	An active energy ray-curable polymer composition, a cured film using the same, a laminate having the cured film, and a method for producing these.	20191227

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GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Complexity:	60.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	102.068079557
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	102.068079557
Rotatable Bond Count:	2
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5