2-Methoxycyclohexanecarboxylic Acid - CAS 13702-44-8

Catalog:	BB008496
Product Name:	2-Methoxycyclohexanecarboxylic Acid
CAS:	13702-44-8
Synonyms:	2-methoxy-1-cyclohexanecarboxylic acid; 2-methoxycyclohexane-1-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	2-methoxycyclohexane-1-carboxylic acid
Description:	2-Methoxycyclohexanecarboxylic Acid (CAS# 13702-44-8) is a useful research chemical.
Molecular Weight:	158.19
Molecular Formula:	C8H14O3
Canonical SMILES:	COC1CCCCC1C(=O)O
InChI:	InChI=1S/C8H14O3/c1-11-7-5-3-2-4-6(7)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
InChI Key:	QOHPGWDUUQCBAG-UHFFFAOYSA-N
LogP:	1.27620

Publication Number	Title	Priority Date
WO-2020226141-A1	Resist underlayer film forming composition containing alicyclic compound-terminated polymer	20190508
WO-2019193062-A1	Substituted pyrrolidines and their use	20180403
JP-2012137531-A	Coloring composition, color filter and display element	20101224
JP-5655551-B2	Coloring composition, color filter and display element	20101224
KR-101767685-B1	Coloring composition, color filter and display device	20101224

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.094294304
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	158.094294304
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1