Name: Name:4,6-diMethyl-2-oxo-2H-pyran-5-carboxylic acid
Brand: Angene
SKU: AG00G3T1
Rating: 90 (10 reviews)

4,6-diMethyl-2-oxo-2H-pyran-5-carboxylic acid

CAS No.:

775314-83-5

Catalog Number:

AG00G3T1

Molecular Formula:

C21H20ClNO

Molecular Weight:

337.8426

Catalog Number:

AG00G3T1

Chemical Name:

4,6-diMethyl-2-oxo-2H-pyran-5-carboxylic acid

CAS Number:

775314-83-5

Molecular Formula:

C21H20ClNO

Molecular Weight:

337.8426

MDL Number:

MFCD00023864

IUPAC Name:

1-(1-benzhydryl-2,5-dimethylpyrrol-3-yl)-2-chloroethanone

InChI:

InChI=1S/C21H20ClNO/c1-15-13-19(20(24)14-22)16(2)23(15)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,21H,14H2,1-2H3

InChI Key:

JSHXDEJBKVFULM-UHFFFAOYSA-N

SMILES:

ClCC(=O)c1cc(n(c1C)C(c1ccccc1)c1ccccc1)C

Complexity:

396

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

337.123g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

337.847g/mol

Monoisotopic Mass:

337.123g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

22A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.1