Name: Name:1-[(oxan-4-yl)methyl]-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01B6JL
Rating: 90 (10 reviews)

1-[(oxan-4-yl)methyl]-1H-pyrazole-4-carboxylic acid

CAS No.:

1249323-93-0

Catalog Number:

AG01B6JL

Molecular Formula:

C10H14N2O3

Molecular Weight:

210.2298

Catalog Number:

AG01B6JL

Chemical Name:

1-[(oxan-4-yl)methyl]-1H-pyrazole-4-carboxylic acid

CAS Number:

1249323-93-0

Molecular Formula:

C10H14N2O3

Molecular Weight:

210.2298

MDL Number:

MFCD16745800

IUPAC Name:

1-(oxan-4-ylmethyl)pyrazole-4-carboxylic acid

InChI:

InChI=1S/C10H14N2O3/c13-10(14)9-5-11-12(7-9)6-8-1-3-15-4-2-8/h5,7-8H,1-4,6H2,(H,13,14)

InChI Key:

QRZATPQSQLYCFJ-UHFFFAOYSA-N

SMILES:

OC(=O)c1cnn(c1)CC1CCOCC1

Complexity:

229

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

210.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

210.233g/mol

Monoisotopic Mass:

210.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3