Name: Name:1-phenyl-4-propoxy-1H-pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG01AALL
Rating: 90 (10 reviews)

1-phenyl-4-propoxy-1H-pyrazole-3-carboxylic acid

CAS No.:

1152625-34-7

Catalog Number:

AG01AALL

Molecular Formula:

C13H14N2O3

Molecular Weight:

246.2619

Catalog Number:

AG01AALL

Chemical Name:

1-phenyl-4-propoxy-1H-pyrazole-3-carboxylic acid

CAS Number:

1152625-34-7

Molecular Formula:

C13H14N2O3

Molecular Weight:

246.2619

MDL Number:

MFCD11523857

IUPAC Name:

1-phenyl-4-propoxypyrazole-3-carboxylic acid

InChI:

InChI=1S/C13H14N2O3/c1-2-8-18-11-9-15(14-12(11)13(16)17)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,16,17)

InChI Key:

LCECDDBNGUKNLV-UHFFFAOYSA-N

SMILES:

CCCOc1cn(nc1C(=O)O)c1ccccc1

Complexity:

279

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

246.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

246.266g/mol

Monoisotopic Mass:

246.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6