Name: Name:Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-2-nitro-
Brand: Angene
SKU: AG002IIM
Rating: 90 (10 reviews)

Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-2-nitro-

CAS No.:

206537-28-2

Catalog Number:

AG002IIM

Molecular Formula:

C14H18N2O6

Molecular Weight:

310.3025

Catalog Number:

AG002IIM

Chemical Name:

Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-2-nitro-

CAS Number:

206537-28-2

Molecular Formula:

C14H18N2O6

Molecular Weight:

310.3025

IUPAC Name:

3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-nitrophenyl)propanoic acid

InChI:

InChI=1S/C14H18N2O6/c1-14(2,3)22-13(19)15-10(8-12(17)18)9-6-4-5-7-11(9)16(20)21/h4-7,10H,8H2,1-3H3,(H,15,19)(H,17,18)

InChI Key:

SAVFDQXYVJSWEN-UHFFFAOYSA-N

SMILES:

OC(=O)CC(c1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C

Complexity:

426

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

310.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

310.306g/mol

Monoisotopic Mass:

310.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

121A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8