D6- (±) -Jasmonic acid methyl ester (99.2 ATOM% D)

CAT: 1299-RM-J674651-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-J674651-01Size:10 mg

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CAS Number

139435-18-0

Synonyms

Methyl 2- ((1S,2S) -3-oxo-2- ((Z) -pent-2-en-1-yl-3,4,4,5,5,5-d6) cyclopentyl) acetate

Molecular Formula

C13H14D6O3

Molecular Weight

230.34

Product Name Synonym

(±) -Jasmonic acid methyl ester-d6

Chemical Information

D6-(inverted exclamation markA)-Jasmonic Acid Methyl Ester (99.2 Atom% D)

CAS Number	139435-18-0
PubChem CID	131873407
IUPAC Name	methyl 2-[(1S,2S)-2-[(Z)-3,4,4,5,5,5-hexadeuteriopent-2-enyl]-3-oxocyclopentyl]acetate
Molecular Formula	C13H20O3
Molecular Weight	230.33
XLogP	1.9
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	16
Formal Charge	0
Complexity	281

SMILES

[2H]/C(=C/C[C@H]1[C@@H](CCC1=O)CC(=O)OC)/C([2H])([2H])C([2H])([2H])[2H]

InChI

InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11-/m0/s1/i1D3,3D2,4D

InChIKey

GEWDNTWNSAZUDX-RMWDPJGOSA-N

Chemical Structure

2D Structure

CAS: 139435-18-0

CID: 131873407

Formula: C13H20O3

MW: 230.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	230.33
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	230.178904971
Monoisotopic Mass	230.178904971
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	281
Isotope Atom Count	6
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-J674797-01	D6- (±) -Jasmonic Acid (99.2 Atom% D)
RM-J673910-01	D6- (±) -Jasmonic acid (99.2 ATOM% D)
RM-J674669-01	N-[ (±) -Jasmonyl]- (L) -Isoleucine Methyl Ester-D6 (99.2 Atom% D)
RM-J674670-01	N-[ (±) -Jasmonyl]- (L) -Leucine Methyl Ester-D6 (99.2 Atom% D)
RM-J673906-01	(±) -Jasmonic Acid Methyl Ester
RM-J674799-01	N-[ (±) -Jasmonyl]- (L) -Valine-D6 (99.2 Atom% D)
RM-J673912-01	N-[ (±) -Jasmonyl]- (L) -valine-D6 (99.2 ATOM% D)
RM-J674668-01	N-[ (±) -Jasmonyl]- (L) -Leucine-D6 (99.2 Atom% D)
RM-J674798-01	N-[ (±) -Jasmonyl]- (L) -Isoleucine-D6 (≥90.0 Atom% D)
RM-J673911-01	N-[ (±) -Jasmonyl]- (L) -isoleucine-D6 (≥90.0 ATOM% D)

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