Name: Name:1-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01AD2T
Rating: 90 (10 reviews)

1-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-4-carboxylic acid

CAS No.:

1153368-46-7

Catalog Number:

AG01AD2T

Molecular Formula:

C13H14N2O4

Molecular Weight:

262.2613

Catalog Number:

AG01AD2T

Chemical Name:

1-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-4-carboxylic acid

CAS Number:

1153368-46-7

Molecular Formula:

C13H14N2O4

Molecular Weight:

262.2613

MDL Number:

MFCD12585409

IUPAC Name:

1-[(3,4-dimethoxyphenyl)methyl]pyrazole-4-carboxylic acid

InChI:

InChI=1S/C13H14N2O4/c1-18-11-4-3-9(5-12(11)19-2)7-15-8-10(6-14-15)13(16)17/h3-6,8H,7H2,1-2H3,(H,16,17)

InChI Key:

SJVLKPRVIMEOAW-UHFFFAOYSA-N

SMILES:

COc1cc(ccc1OC)Cn1ncc(c1)C(=O)O

Complexity:

313

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

262.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

262.265g/mol

Monoisotopic Mass:

262.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

73.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3