Methyl 1-benzyl-1,2,5,6-tetrahydro-4-hydroxynicotinate

CAS

97692-42-7

Catalog Number

ACM97692427

Category

Other Products

Molecular Weight

247.289680 [g/mol]

Molecular Formula

C₁₄H₁₇NO₃

MSDS COA Spec Sheet

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Specification

Synonyms

EINECS 307-695-2, CID5485997, Methyl 1-benzyl-1,2,5,6-tetrahydro-4-hydroxynicotinate, 97692-42-7

IUPAC Name

(3Z)-1-benzyl-3-[hydroxy(methoxy)methylidene]piperidin-4-one

Canonical SMILES

COC(=O)C1=C(CCN(C1)CC2=CC=CC=C2)O

InChI Key

CXVJTUIWTAGQHF-OWBHPGMISA-N

Boiling Point

379.7ºC at 760mmHg

Flash Point

183.4ºC

Density

1.226g/cm³

EC Number

307-695-2

Exact Mass

247.12100

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Methyl 1-benzyl-1,2,5,6-tetrahydro-4-hydroxynicotinate?

The molecular formula of Methyl 1-benzyl-1,2,5,6-tetrahydro-4-hydroxynicotinate is C14H17NO3.

When was Methyl 1-benzyl-1,2,5,6-tetrahydro-4-hydroxynicotinate created?

Methyl 1-benzyl-1,2,5,6-tetrahydro-4-hydroxynicotinate was created on December 26, 2011.

What is the IUPAC name of Methyl 1-benzyl-1,2,5,6-tetrahydro-4-hydroxynicotinate?

The IUPAC name of Methyl 1-benzyl-1,2,5,6-tetrahydro-4-hydroxynicotinate is methyl 1-benzyl-4-hydroxy-3,6-dihydro-2H-pyridine-5-carboxylate.

What is the InChI of Methyl 1-benzyl-1,2,5,6-tetrahydro-4-hydroxynicotinate?

The InChI of Methyl 1-benzyl-1,2,5,6-tetrahydro-4-hydroxynicotinate is InChI=1S/C14H17NO3/c1-18-14(17)12-10-15(8-7-13(12)16)9-11-5-3-2-4-6-11/h2-6,16H,7-10H2,1H3.

What is the InChIKey of Methyl 1-benzyl-1,2,5,6-tetrahydro-4-hydroxynicotinate?

The InChIKey of Methyl 1-benzyl-1,2,5,6-tetrahydro-4-hydroxynicotinate is NIOZGZNXEHVZNI-UHFFFAOYSA-N.

What is the canonical SMILES of Methyl 1-benzyl-1,2,5,6-tetrahydro-4-hydroxynicotinate?

The canonical SMILES of Methyl 1-benzyl-1,2,5,6-tetrahydro-4-hydroxynicotinate is COC(=O)C1=C(CCN(C1)CC2=CC=CC=C2)O.

What is the CAS number of Methyl 1-benzyl-1,2,5,6-tetrahydro-4-hydroxynicotinate?

The CAS number of Methyl 1-benzyl-1,2,5,6-tetrahydro-4-hydroxynicotinate is 97692-42-7.

What is the European Community (EC) Number of Methyl 1-benzyl-1,2,5,6-tetrahydro-4-hydroxynicotinate?

The European Community (EC) Number of Methyl 1-benzyl-1,2,5,6-tetrahydro-4-hydroxynicotinate is 307-695-2.

What is the molecular weight of Methyl 1-benzyl-1,2,5,6-tetrahydro-4-hydroxynicotinate?

The molecular weight of Methyl 1-benzyl-1,2,5,6-tetrahydro-4-hydroxynicotinate is 247.29 g/mol.

Is Methyl 1-benzyl-1,2,5,6-tetrahydro-4-hydroxynicotinate a canonicalized compound?

Yes, Methyl 1-benzyl-1,2,5,6-tetrahydro-4-hydroxynicotinate is a canonicalized compound.