Name: Name:methyl 5-(1,3-benzodioxol-5-yl)-1H-pyrazole-3-carboxylate
Brand: Angene
SKU: AG00JEN4
Rating: 90 (10 reviews)

methyl 5-(1,3-benzodioxol-5-yl)-1H-pyrazole-3-carboxylate

CAS No.:

1029104-54-8

Catalog Number:

AG00JEN4

Molecular Formula:

C12H10N2O4

Molecular Weight:

246.2188

Catalog Number:

AG00JEN4

Chemical Name:

methyl 5-(1,3-benzodioxol-5-yl)-1H-pyrazole-3-carboxylate

CAS Number:

1029104-54-8

Molecular Formula:

C12H10N2O4

Molecular Weight:

246.2188

MDL Number:

MFCD04969777

IUPAC Name:

methyl 3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylate

InChI:

InChI=1S/C12H10N2O4/c1-16-12(15)9-5-8(13-14-9)7-2-3-10-11(4-7)18-6-17-10/h2-5H,6H2,1H3,(H,13,14)

InChI Key:

TXRHHGNWAVUALM-UHFFFAOYSA-N

SMILES:

COC(=O)c1n[nH]c(c1)c1ccc2c(c1)OCO2

Complexity:

325

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

246.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

246.222g/mol

Monoisotopic Mass:

246.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

73.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9