Name: Name:Benzeneacetic acid, a,a-dimethyl-4-nitro-, methyl ester
Brand: Angene
SKU: AG00IAII
Rating: 90 (10 reviews)

Benzeneacetic acid, a,a-dimethyl-4-nitro-, methyl ester

CAS No.:

59115-08-1

Catalog Number:

AG00IAII

Molecular Formula:

C11H13NO4

Molecular Weight:

223.2252

Catalog Number:

AG00IAII

Chemical Name:

Benzeneacetic acid, a,a-dimethyl-4-nitro-, methyl ester

CAS Number:

59115-08-1

Molecular Formula:

C11H13NO4

Molecular Weight:

223.2252

MDL Number:

MFCD20484143

IUPAC Name:

methyl 2-methyl-2-(4-nitrophenyl)propanoate

InChI:

InChI=1S/C11H13NO4/c1-11(2,10(13)16-3)8-4-6-9(7-5-8)12(14)15/h4-7H,1-3H3

InChI Key:

HSQIFLIPJUZWEO-UHFFFAOYSA-N

SMILES:

COC(=O)C(c1ccc(cc1)[N+](=O)[O-])(C)C

Complexity:

274

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

223.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

223.228g/mol

Monoisotopic Mass:

223.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5