Name: Name:1-Allyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG0004W2
Rating: 90 (10 reviews)

1-Allyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid

CAS No.:

1015846-06-6

Catalog Number:

AG0004W2

Molecular Formula:

C9H12N2O2

Molecular Weight:

180.2038

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Purity

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Price(USD)

Quantity

95%

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United States

$289

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Catalog Number:

AG0004W2

Chemical Name:

1-Allyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid

CAS Number:

1015846-06-6

Molecular Formula:

C9H12N2O2

Molecular Weight:

180.2038

MDL Number:

MFCD08691921

IUPAC Name:

3,5-dimethyl-1-prop-2-enylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C9H12N2O2/c1-4-5-11-7(3)8(9(12)13)6(2)10-11/h4H,1,5H2,2-3H3,(H,12,13)

InChI Key:

WCYLMCFEDFIENC-UHFFFAOYSA-N

SMILES:

C=CCn1nc(c(c1C)C(=O)O)C

Complexity:

218

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

180.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

180.207g/mol

Monoisotopic Mass:

180.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3