Name: Name:2-Butenoic acid,3-methyl-, 2-(1-methylpropyl)-4,6-dinitrophenyl ester
Brand: Angene
SKU: AG006WRL
Rating: 90 (10 reviews)

2-Butenoic acid,3-methyl-, 2-(1-methylpropyl)-4,6-dinitrophenyl ester

CAS No.:

485-31-4

Catalog Number:

AG006WRL

Molecular Formula:

C15H17N2O6-

Molecular Weight:

321.3053

Catalog Number:

AG006WRL

Chemical Name:

2-Butenoic acid,3-methyl-, 2-(1-methylpropyl)-4,6-dinitrophenyl ester

CAS Number:

485-31-4

Molecular Formula:

C15H17N2O6-

Molecular Weight:

321.3053

IUPAC Name:

(2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate

InChI:

InChI=1S/C15H18N2O6/c1-5-10(4)12-7-11(16(19)20)8-13(17(21)22)15(12)23-14(18)6-9(2)3/h6-8,10H,5H2,1-4H3

InChI Key:

ZRDUSMYWDRPZRM-UHFFFAOYSA-N

SMILES:

CCC(c1cc(cc(c1C(=C(C)C)C(=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C

EC Number:

207-612-9

RTECS Number:

GQ5600000

UN Number:

2779

Complexity:

489

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

322.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

322.317g/mol

Monoisotopic Mass:

322.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

118A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.6