Name: Name:Ethanone, 1-(2-anthracenyl)-
Brand: Angene
SKU: AG0006ME
Rating: 90 (10 reviews)

Ethanone, 1-(2-anthracenyl)-

CAS No.:

10210-32-9

Catalog Number:

AG0006ME

Molecular Formula:

C16H12O

Molecular Weight:

220.2659

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Product Description

Catalog Number:

AG0006ME

Chemical Name:

Ethanone, 1-(2-anthracenyl)-

CAS Number:

10210-32-9

Molecular Formula:

C16H12O

Molecular Weight:

220.2659

MDL Number:

MFCD00156727

IUPAC Name:

1-anthracen-2-ylethanone

InChI:

InChI=1S/C16H12O/c1-11(17)12-6-7-15-9-13-4-2-3-5-14(13)10-16(15)8-12/h2-10H,1H3

InChI Key:

DQFWGPPCMONVDS-UHFFFAOYSA-N

SMILES:

CC(=O)c1ccc2c(c1)cc1c(c2)cccc1

Properties

Complexity:

296

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

220.089g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

220.271g/mol

Monoisotopic Mass:

220.089g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4

Literature

Title	Journal
Which strategy for molecular probe design? An answer from the integration of spectroscopy and QM modeling.	Physical chemistry chemical physics : PCCP 20100821

Properties