Name: Name:1H-Tetrazole-1-acetic acid, α-(phenylmethyl)-
Brand: Angene
SKU: AG0029AX
Rating: 90 (10 reviews)

1H-Tetrazole-1-acetic acid, α-(phenylmethyl)-

CAS No.:

204188-85-2

Catalog Number:

AG0029AX

Molecular Formula:

C10H10N4O2

Molecular Weight:

218.2120

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Product Description

Catalog Number:

AG0029AX

Chemical Name:

1H-Tetrazole-1-acetic acid, α-(phenylmethyl)-

CAS Number:

204188-85-2

Molecular Formula:

C10H10N4O2

Molecular Weight:

218.2120

MDL Number:

MFCD01858390

IUPAC Name:

3-phenyl-2-(tetrazol-1-yl)propanoic acid

InChI:

InChI=1S/C10H10N4O2/c15-10(16)9(14-7-11-12-13-14)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,15,16)

InChI Key:

CJFZFWRBAQCHFO-UHFFFAOYSA-N

SMILES:

OC(=O)C(n1cnnn1)Cc1ccccc1

Properties

Complexity:

243

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

218.08g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

218.216g/mol

Monoisotopic Mass:

218.08g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Properties