4-Methylvaleric Acid Methyl-d3 Ester

CAT: 0024-sc-484804Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-484804Size:25 mg

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CAS Number

97632-11-6

Chemical Information

4-Methylvaleric Acid Methyl-d3 Ester

CAS Number	97632-11-6
PubChem CID	131668112
IUPAC Name	trideuteriomethyl 4-methylpentanoate
Molecular Formula	C7H14O2
Molecular Weight	133.20
XLogP	2.1
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	86

SMILES

[2H]C([2H])([2H])OC(=O)CCC(C)C

InChI

InChI=1S/C7H14O2/c1-6(2)4-5-7(8)9-3/h6H,4-5H2,1-3H3/i3D3

InChIKey

KBCOVKHULBZKNY-HPRDVNIFSA-N

Chemical Structure

2D Structure

CAS: 97632-11-6

CID: 131668112

Formula: C7H14O2

MW: 133.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	133.20
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	133.118209923
Monoisotopic Mass	133.118209923
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	86.9
Isotope Atom Count	3
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-484799	4-Methylvaleric Acid Methyl Ester
sc-487751	(S) -2-Methylvaleric Acid Methyl Ester-d3
sc-484794	(S) -2-Methylvaleric Acid Methyl Ester
sc-487752	4-Methylvaleric Acid Ethyl-d5 Ester
sc-478288	4-Pentenoic Acid Methyl-d3 Ester
sc-478895	4-Pentynoic Acid Methyl Ester-d3
sc-238911	4-Methylvaleric acid
sc-484052	6-Methyl-4-tetradecenoic acid methyl ester-d3
sc-474221	Sorbic Acid Methyl-d3 Ester
sc-491258	Heptanoic Acid Methyl-d3 Ester

Catalog	Name
TRC-M338507-100MG	4-Methylvaleric Acid Methyl-d3 Ester
TRC-M338505-5G	4-Methylvaleric Acid Methyl Ester
465373	S-2-Methylvaleric Acid Methyl Ester-d3
TRC-M338497-50MG	(S)-2-Methylvaleric Acid Methyl Ester-d3
433200-01	4-Methylvaleric Acid Ethyl Ester
TRC-M338495-100MG	(S)-2-Methylvaleric Acid Methyl Ester
OR919405-01	(S) - (-) -2-Isocyanato-4-methylvaleric acid methyl ester
465372	S-2-Methylvaleric Acid Methyl Ester
433201	4-Methylvaleric Acid Ethyl-d5 Ester
433336	4-Pentenoic Acid Methyl-d3 Ester