Methyl trans-4-carbamoylcyclohexanecarboxylate

CAT: 0127-OR1042184-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1042184-01Size:250 mg

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CAS Number

1202-24-0

MDL Number

MFCD28133441

Purity

97%

Smiles

COC([C@H]1CC[C@H](C(N)=O)CC1)=O

Chemical Information

Methyl 4-carbamoylcyclohexanecarboxylate

CAS Number	1202-24-0
PubChem CID	15105949
IUPAC Name	methyl 4-carbamoylcyclohexane-1-carboxylate
Molecular Formula	C9H15NO3
Molecular Weight	185.22
XLogP	0.2
Topological Polar Surface Area	69.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	207

SMILES

COC(=O)C1CCC(CC1)C(=O)N

InChI

InChI=1S/C9H15NO3/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h6-7H,2-5H2,1H3,(H2,10,11)

InChIKey

KADKWAIHQUVCCO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1202-24-0

CID: 15105949

Formula: C9H15NO3

MW: 185.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	185.22
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	185.10519334
Monoisotopic Mass	185.10519334
Topological Polar Surface Area	69.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	207
Isotope Atom Count	0
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
OR15501	Methyl trans-4-bromocinnamate
OR937522-01	Methyl trans-4-hydroxycyclohexanecarboxylate
OR928143-01	Methyl trans-4-formylcyclohexanecarboxylate
OR1030932-01	Trans-Methyl 4-Aminocyclohexanecarboxylate
OR1048456-01	Trans-Methyl 4- (benzyloxy) cyclohexanecarboxylate
OR1078985-01	Trans-4-Methyl-2-pentene
OR1022521	Trans-3-Methyl-4-aminotetrahydropyran hydrochloride
OR1034470-01	Trans-4- ((Dimethylamino) methyl) cyclohexanamine diacetate
OR12541-01	Methyl trans-4-phenylpyrrolidine-3-carboxylate
OR1007514-01	Trans-4-[ (Dimethylamino) methyl]cyclohexanamine dihydrochloride

Catalog	Name
sc-486355	Methyl trans-4-Hydroxycyclohexanecarboxylate
TXC28663-01	4-Methyl trans-Doxercalciferol
AB1420	Trans-Methyl 4-hydroxycinnamate
abx182694-01	trans-4-Methyl-cyclohexylamine
sc-251279	Trans-4-Methyl-β-nitrostyrene
JH919934	(trans) -4- (((trans) -4- (aminomethyl) cyclohexanecarboxamido) methyl) cyclohexanecarboxylic
FM143110-01	Trans-Methyl 4- (hydroxymethyl) cyclohexanecarboxylate
HY-170825	(trans-4-Ethynylcyclohexyl) methyl methanesulfonate
TN7800-01	Trans-N-Methyl-4-methoxyproline
sc-237201	Trans-4-Methyl-2-pentene