Name: Name:4-Pentenoic acid, 2-methyl-2-(methylsulfonyl)-, phenylmethyl ester, (2R)-
Brand: Angene
SKU: AG0023DI
Rating: 90 (10 reviews)

4-Pentenoic acid, 2-methyl-2-(methylsulfonyl)-, phenylmethyl ester, (2R)-

CAS No.:

1821022-18-7

Catalog Number:

AG0023DI

Molecular Formula:

C14H18O4S

Molecular Weight:

282.3553

Catalog Number:

AG0023DI

Chemical Name:

4-Pentenoic acid, 2-methyl-2-(methylsulfonyl)-, phenylmethyl ester, (2R)-

CAS Number:

1821022-18-7

Molecular Formula:

C14H18O4S

Molecular Weight:

282.3553

MDL Number:

MFCD30490705

IUPAC Name:

benzyl (2R)-2-methyl-2-methylsulfonylpent-4-enoate

InChI:

InChI=1S/C14H18O4S/c1-4-10-14(2,19(3,16)17)13(15)18-11-12-8-6-5-7-9-12/h4-9H,1,10-11H2,2-3H3/t14-/m1/s1

InChI Key:

IWUXUMPMYUOEIY-CQSZACIVSA-N

SMILES:

C=CC[C@@](S(=O)(=O)C)(C(=O)OCc1ccccc1)C

Complexity:

415

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

282.093g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

282.354g/mol

Monoisotopic Mass:

282.093g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3