1-(Hydroxymethyl)indan - CAS 1196-17-4

Catalog:	BB004560
Product Name:	1-(Hydroxymethyl)indan
CAS:	1196-17-4
Synonyms:	2,3-dihydro-1H-inden-1-ylmethanol; 2,3-dihydro-1H-inden-1-ylmethanol

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	2,3-dihydro-1H-inden-1-ylmethanol
Description:	1-(Hydroxymethyl)indan (CAS# 1196-17-4) is a useful research chemical.
Molecular Weight:	148.20
Molecular Formula:	C10H12O
Canonical SMILES:	C1CC2=CC=CC=C2C1CO
InChI:	InChI=1S/C10H12O/c11-7-9-6-5-8-3-1-2-4-10(8)9/h1-4,9,11H,5-7H2
InChI Key:	GJZQCDPVYVQVBP-UHFFFAOYSA-N
Boiling Point:	262.5 °C at 760 mmHg
Density:	1.08 g/cm³
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD18089511
LogP:	1.70870

Publication Number	Title	Priority Date
WO-2021020462-A1	Intracellular delivery peptide	20190729
EP-3725331-A1	Modified carbon nanomaterial, nanocluster, substance delivery carrier, and pharmaceutical composition	20171215
US-2020384111-A1	Modified carbon nanomaterial, nanocluster, substance delivery carrier, and pharmaceutical composition	20171215
WO-2019078171-A1	Method for concentrating or separating polymer compound	20171016
EP-3604520-A1	Peptide for cytosolic delivery	20170322

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	133
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.088815002
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	148.088815002
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7