Name: Name:2-Propenoic acid, 3-(4,5-dimethoxy-2-nitrophenyl)-
Brand: Angene
SKU: AG002AA9
Rating: 90 (10 reviews)

2-Propenoic acid, 3-(4,5-dimethoxy-2-nitrophenyl)-

CAS No.:

20567-38-8

Catalog Number:

AG002AA9

Molecular Formula:

C11H11NO6

Molecular Weight:

253.2081

Catalog Number:

AG002AA9

Chemical Name:

2-Propenoic acid, 3-(4,5-dimethoxy-2-nitrophenyl)-

CAS Number:

20567-38-8

Molecular Formula:

C11H11NO6

Molecular Weight:

253.2081

MDL Number:

MFCD00017017

IUPAC Name:

(E)-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoic acid

InChI:

InChI=1S/C11H11NO6/c1-17-9-5-7(3-4-11(13)14)8(12(15)16)6-10(9)18-2/h3-6H,1-2H3,(H,13,14)/b4-3+

InChI Key:

BZIRMMAJZSOLEW-ONEGZZNKSA-N

SMILES:

COc1cc(C=CC(=O)O)c(cc1OC)[N+](=O)[O-]

Complexity:

337

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

253.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

253.21g/mol

Monoisotopic Mass:

253.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

102A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6