Name: Name:3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-1H-pyrazole-4-carbaldehyde
Brand: Angene
SKU: AG019OUI
Rating: 90 (10 reviews)

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-1H-pyrazole-4-carbaldehyde

CAS No.:

957023-35-7

Catalog Number:

AG019OUI

Molecular Formula:

C14H14N2O3

Molecular Weight:

258.2726

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Product Description

Catalog Number:

AG019OUI

Chemical Name:

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-1H-pyrazole-4-carbaldehyde

CAS Number:

957023-35-7

Molecular Formula:

C14H14N2O3

Molecular Weight:

258.2726

MDL Number:

MFCD07687987

IUPAC Name:

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carbaldehyde

InChI:

InChI=1S/C14H14N2O3/c1-16-8-11(9-17)14(15-16)10-3-4-12-13(7-10)19-6-2-5-18-12/h3-4,7-9H,2,5-6H2,1H3

InChI Key:

IAIWVFLYNWXZRG-UHFFFAOYSA-N

SMILES:

O=Cc1cn(nc1c1ccc2c(c1)OCCCO2)C

Properties

Complexity:

326

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

258.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

258.277g/mol

Monoisotopic Mass:

258.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501