Name: Name:2-(4-cyclopropylmethanesulfonylphenyl)acetic acid
Brand: Angene
SKU: AG01ANBT
Rating: 90 (10 reviews)

2-(4-cyclopropylmethanesulfonylphenyl)acetic acid

CAS No.:

1156165-48-8

Catalog Number:

AG01ANBT

Molecular Formula:

C12H14O4S

Molecular Weight:

254.3022

Catalog Number:

AG01ANBT

Chemical Name:

2-(4-cyclopropylmethanesulfonylphenyl)acetic acid

CAS Number:

1156165-48-8

Molecular Formula:

C12H14O4S

Molecular Weight:

254.3022

MDL Number:

MFCD12434736

IUPAC Name:

2-[4-(cyclopropylmethylsulfonyl)phenyl]acetic acid

InChI:

InChI=1S/C12H14O4S/c13-12(14)7-9-3-5-11(6-4-9)17(15,16)8-10-1-2-10/h3-6,10H,1-2,7-8H2,(H,13,14)

InChI Key:

HJHIWZSHVWABCJ-UHFFFAOYSA-N

SMILES:

OC(=O)Cc1ccc(cc1)S(=O)(=O)CC1CC1

Complexity:

370

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

254.061g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

254.3g/mol

Monoisotopic Mass:

254.061g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1