Name: Name:1H-Imidazole-4-carboxylicacid,1,1-dimethylethylester(9CI)
Brand: Angene
SKU: AG00EX6H
Rating: 90 (10 reviews)

1H-Imidazole-4-carboxylicacid,1,1-dimethylethylester(9CI)

CAS No.:

611238-94-9

Catalog Number:

AG00EX6H

Molecular Formula:

C8H12N2O2

Molecular Weight:

168.1931

Catalog Number:

AG00EX6H

Chemical Name:

1H-Imidazole-4-carboxylicacid,1,1-dimethylethylester(9CI)

CAS Number:

611238-94-9

Molecular Formula:

C8H12N2O2

Molecular Weight:

168.1931

MDL Number:

MFCD22495092

IUPAC Name:

tert-butyl 1H-imidazole-5-carboxylate

InChI:

InChI=1S/C8H12N2O2/c1-8(2,3)12-7(11)6-4-9-5-10-6/h4-5H,1-3H3,(H,9,10)

InChI Key:

BOCWGBMVJKSUOD-UHFFFAOYSA-N

SMILES:

O=C(c1[nH]cnc1)OC(C)(C)C

Complexity:

174

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

168.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

168.196g/mol

Monoisotopic Mass:

168.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2