Name: Name:3-(2H-tetraazol-2-yl)adamantane-1-carboxylic acid
Brand: Angene
SKU: AG00JE73
Rating: 90 (10 reviews)

3-(2H-tetraazol-2-yl)adamantane-1-carboxylic acid

CAS No.:

438218-00-9

Catalog Number:

AG00JE73

Molecular Formula:

C12H16N4O2

Molecular Weight:

248.2810

Catalog Number:

AG00JE73

Chemical Name:

3-(2H-tetraazol-2-yl)adamantane-1-carboxylic acid

CAS Number:

438218-00-9

Molecular Formula:

C12H16N4O2

Molecular Weight:

248.2810

MDL Number:

MFCD03074460

IUPAC Name:

3-(tetrazol-2-yl)adamantane-1-carboxylic acid

InChI:

InChI=1S/C12H16N4O2/c17-10(18)11-2-8-1-9(3-11)5-12(4-8,6-11)16-14-7-13-15-16/h7-9H,1-6H2,(H,17,18)

InChI Key:

HBNIPLONHFFQIY-UHFFFAOYSA-N

SMILES:

OC(=O)C12CC3CC(C1)CC(C2)(C3)n1nncn1

Complexity:

386

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

248.127g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

248.286g/mol

Monoisotopic Mass:

248.127g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7