3-Methoxy-2,2-dimethylpropionic Acid - CAS 64241-78-7

Catalog:	BB032411
Product Name:	3-Methoxy-2,2-dimethylpropionic Acid
CAS:	64241-78-7
Synonyms:	3-methoxy-2,2-dimethylpropanoic acid; 3-methoxy-2,2-dimethylpropanoic acid

Technical Data

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Computed Properties

IUPAC Name:	3-methoxy-2,2-dimethylpropanoic acid
Description:	3-Methoxy-2,2-dimethylpropionic Acid (CAS# 64241-78-7) is a useful research chemical.
Molecular Weight:	132.16
Molecular Formula:	C6H12O3
Canonical SMILES:	CC(C)(COC)C(=O)O
InChI:	InChI=1S/C6H12O3/c1-6(2,4-9-3)5(7)8/h4H2,1-3H3,(H,7,8)
InChI Key:	FLFLSQGRBROAPA-UHFFFAOYSA-N
Boiling Point:	199.3 °C at 760 mmHg
Density:	1.027 g/cm³
LogP:	0.74360

Publication Number	Title	Priority Date
US-2020171020-A1	Substituted 6-azabenzimidazole compounds	20181031
WO-2020092528-A1	Substituted 6-azabenzimidazole compounds having hpk1 inhibitory activity	20181031
TW-202031654-A	Substituted 6-azabenzimidazole compounds	20181031
CN-112969505-A	Substituted 6-azabenzimidazole compounds having HPK1 inhibiting activity	20181031
EP-3873608-A1	Substituted 6-azabenzimidazole compounds having hpk1 inhibitory activity	20181031

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Carbonyl Compounds

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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:	107
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	132.078644241
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	132.078644241
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5