AG00CMBX

39223-32-0 | 4-(1-Methylcyclopropyl)butanoic acid

AG00CMBX

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CAS Number	39223-32-0
Catalog Number	AG00CMBX(AGN-PC-0WAN3I)
Chemical Name	4-(1-Methylcyclopropyl)butanoic acid
IUPAC Name	4-(1-methylcyclopropyl)butanoic acid
InChI	InChI=1S/C8H14O2/c1-8(5-6-8)4-2-3-7(9)10/h2-6H2,1H3,(H,9,10)
InChI Key	UWANZNIJWFYBDY-UHFFFAOYSA-N
MDL Number	MFCD12405756
Molecular Formula	C8H14O2
Molecular Weight	142.1956
SMILES	CC1(CC1)CCCC(=O)O
Synonyms	4-(1-methylcyclopropyl)butanoic acid, 39223-32-0, SCHEMBL2558530, KS-00000RPJ, DTXSID10654871, Cyclopropanebutanoic acid, 1-methyl-, MFCD12405756, ZINC33358745, 4-?1-methylcyclopropyl?butanoic aicd, AKOS006375498, DS-5811, AJ-85852, AK137230, FT-0657911, A824470, I04-0385,

Complexity	136
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	142.099g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	142.198g/mol
Monoisotopic Mass	142.099g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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