1-Methylcyclopropanecarboxylic acid - CAS 6914-76-7

Name: 1-Methylcyclopropanecarboxylic acid
Brand: BOC Sciences
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Catalog:	BB033707
Product Name:	1-Methylcyclopropanecarboxylic acid
CAS:	6914-76-7
Synonyms:	1-methylcyclopropane-1-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	1-methylcyclopropane-1-carboxylic acid
Description:	1-Methylcyclopropanecarboxylic acid (CAS# 6914-76-7) is a useful research chemical.
Molecular Weight:	100.12
Molecular Formula:	C5H8O2
Canonical SMILES:	CC1(CC1)C(=O)O
InChI:	InChI=1S/C5H8O2/c1-5(2-3-5)4(6)7/h2-3H2,1H3,(H,6,7)
InChI Key:	DIZKLZKLNKQFGB-UHFFFAOYSA-N
Boiling Point:	183-185 °C (lit.)
Purity:	97.0 %
Density:	1.193 g/cm³
Appearance:	White or colorless to almost white or almost colorless powder to lump to clear liquid
MDL:	MFCD00001290
LogP:	0.87110

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

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WO-2021143801-A1	Azabicyclic substituted oxaspiro derivative, preparation method therefor and medical use thereof	20200117
WO-2021143803-A1	Optically pure oxaspiro-substituted pyrrolopyrazole derivative, preparation method therefor and pharmaceutical use thereof	20200117

Complexity:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	100.052429494
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	100.052429494
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6