methyl 3-chloro-2,2-dimethyl-3-oxopropanoate

methyl 3-chloro-2,2-dimethyl-3-oxopropanoate

CAS: 64507-20-6

Formula: C6H9ClO3

SMILES: COC(=O)C(C)(C)C(Cl)=O

IUPAC: methyl 3-chloro-2,2-dimethyl-3-oxopropanoate

InChI: InChI=1S/C6H9ClO3/c1-6(2,4(7)8)5(9)10-3/h1-3H3

Composition: C (43.79%), H (5.51%), Cl (21.54%), O (29.16%)

Molar Mass: 164.59

Atom Count: 19

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	164.0240218
Formal Charge	0
FSP3	0.67
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	YHZPQWZDBDVTIT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.69
Topological Polar Surface Area	43.37
Polarizability	14.63
Ring Count	0
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
80%	<5 Days	64507-20-6		$80.70-$292.55$80.70$121.06$292.55