Name: Name:2-Butanone, 4-hydroxy-4-(2-methoxy-5-nitrophenyl)-
Brand: Angene
SKU: AG002IDT
Rating: 90 (10 reviews)

2-Butanone, 4-hydroxy-4-(2-methoxy-5-nitrophenyl)-

CAS No.:

206258-17-5

Catalog Number:

AG002IDT

Molecular Formula:

C11H13NO5

Molecular Weight:

239.2246

Catalog Number:

AG002IDT

Chemical Name:

2-Butanone, 4-hydroxy-4-(2-methoxy-5-nitrophenyl)-

CAS Number:

206258-17-5

Molecular Formula:

C11H13NO5

Molecular Weight:

239.2246

MDL Number:

MFCD02093743

IUPAC Name:

4-hydroxy-4-(2-methoxy-5-nitrophenyl)butan-2-one

InChI:

InChI=1S/C11H13NO5/c1-7(13)5-10(14)9-6-8(12(15)16)3-4-11(9)17-2/h3-4,6,10,14H,5H2,1-2H3

InChI Key:

MKTFIKYMHQLEDD-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1C(CC(=O)C)O)[N+](=O)[O-]

Complexity:

288

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

239.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

239.227g/mol

Monoisotopic Mass:

239.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5