Name: Name:3-{2H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}aniline
Brand: Angene
SKU: AG01EJQP
Rating: 90 (10 reviews)

3-{2H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}aniline

CAS No.:

2138127-67-8

Catalog Number:

AG01EJQP

Molecular Formula:

C12H13N3O

Molecular Weight:

215.2511

Catalog Number:

AG01EJQP

Chemical Name:

3-{2H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}aniline

CAS Number:

2138127-67-8

Molecular Formula:

C12H13N3O

Molecular Weight:

215.2511

MDL Number:

MFCD31461726

IUPAC Name:

3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)aniline

InChI:

InChI=1S/C12H13N3O/c13-9-3-1-2-8(6-9)12-10-7-16-5-4-11(10)14-15-12/h1-3,6H,4-5,7,13H2,(H,14,15)

InChI Key:

UEGMGVVMYRKXFD-UHFFFAOYSA-N

SMILES:

Nc1cccc(c1)c1[nH]nc2c1COCC2

Complexity:

248

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

215.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

215.256g/mol

Monoisotopic Mass:

215.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9