1-Methylcyclopentanecarboxylic Acid - CAS 5217-05-0

Catalog:	BB027731
Product Name:	1-Methylcyclopentanecarboxylic Acid
CAS:	5217-05-0
Synonyms:	1-methyl-1-cyclopentanecarboxylic acid; 1-methylcyclopentane-1-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	1-methylcyclopentane-1-carboxylic acid
Description:	1-Methylcyclopentanecarboxylic Acid (CAS# 5217-05-0 ) is a useful research chemical.
Molecular Weight:	128.17
Molecular Formula:	C7H12O2
Canonical SMILES:	CC1(CCCC1)C(=O)O
InChI:	InChI=1S/C7H12O2/c1-7(6(8)9)4-2-3-5-7/h2-5H2,1H3,(H,8,9)
InChI Key:	MNIBBVOEXUQHFF-UHFFFAOYSA-N
Boiling Point:	219 °C at 760 mmHg
Density:	1.073 g/cm³
MDL:	MFCD08444320
LogP:	1.65130

Publication Number	Title	Priority Date
WO-2021122978-A1	Non aqueous crosslinkable composition	20191219
WO-2020187928-A1	Non-aqueous crosslinkable composition	20190318
US-2020192222-A1	Resist composition and patterning process	20181218
US-2020095239-A1	N-substituted-dioxocyclobutenylamino-3-hydroxy-picolinamides useful as ccr6 inhibitors	20180921
WO-2020058869-A1	N-substituted-dioxocyclobutenylamino-3-hydroxy-picolinamides useful as ccr6 inhibitors	20180921

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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, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	123
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.083729621
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	128.083729621
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7