Name: Name:[(1E,3E,5E,7E)-4,5,8-tris(hydroxymethyl)cycloocta-1,3,5,7-tetraen-1-yl]methanol
Brand: Angene
SKU: AG01EM50
Rating: 90 (10 reviews)

[(1E,3E,5E,7E)-4,5,8-tris(hydroxymethyl)cycloocta-1,3,5,7-tetraen-1-yl]methanol

CAS No.:

110890-98-7

Catalog Number:

AG01EM50

Molecular Formula:

C12H16O4

Molecular Weight:

224.2530

Catalog Number:

AG01EM50

Chemical Name:

[(1E,3E,5E,7E)-4,5,8-tris(hydroxymethyl)cycloocta-1,3,5,7-tetraen-1-yl]methanol

CAS Number:

110890-98-7

Molecular Formula:

C12H16O4

Molecular Weight:

224.2530

MDL Number:

MFCD00229276

IUPAC Name:

[(1E,3E,5E,7E)-4,5,8-tris(hydroxymethyl)cycloocta-1,3,5,7-tetraen-1-yl]methanol

InChI:

InChI=1S/C12H16O4/c13-5-9-1-2-10(6-14)12(8-16)4-3-11(9)7-15/h1-4,13-16H,5-8H2/b2-1?,4-3?,9-1-,10-2-,11-3-,11-9?,12-4-,12-10?

InChI Key:

ZMVLVAGNXLSCIJ-ZOIXOFLQSA-N

SMILES:

OCC1=CC=C(CO)C(=CC=C1CO)CO

Complexity:

289

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

224.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

224.256g/mol

Monoisotopic Mass:

224.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-2.2