Name: Name:(E)-3,5-dichloro-4-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)benzoic acid
Brand: Angene
SKU: AG008ZV1
Rating: 90 (10 reviews)

(E)-3,5-dichloro-4-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)benzoic acid

CAS No.:

1110767-89-9

Catalog Number:

AG008ZV1

Molecular Formula:

C13H12Cl2O4

Molecular Weight:

303.1380

Catalog Number:

AG008ZV1

Chemical Name:

(E)-3,5-dichloro-4-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)benzoic acid

CAS Number:

1110767-89-9

Molecular Formula:

C13H12Cl2O4

Molecular Weight:

303.1380

MDL Number:

MFCD29918463

IUPAC Name:

3,5-dichloro-4-[(E)-3-ethoxy-2-methyl-3-oxoprop-1-enyl]benzoic acid

InChI:

InChI=1S/C13H12Cl2O4/c1-3-19-13(18)7(2)4-9-10(14)5-8(12(16)17)6-11(9)15/h4-6H,3H2,1-2H3,(H,16,17)/b7-4+

InChI Key:

YHVIKIKTANFPCN-QPJJXVBHSA-N

SMILES:

CCOC(=O)/C(=C/c1c(Cl)cc(cc1Cl)C(=O)O)/C

Complexity:

369

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

302.011g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

303.135g/mol

Monoisotopic Mass:

302.011g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7