Name: Name:1-[4-(2-methylpropoxy)phenyl]cyclopentane-1-carbonitrile
Brand: Angene
SKU: AG01BF4S
Rating: 90 (10 reviews)

1-[4-(2-methylpropoxy)phenyl]cyclopentane-1-carbonitrile

CAS No.:

23528-53-2

Catalog Number:

AG01BF4S

Molecular Formula:

C16H21NO

Molecular Weight:

243.3440

Catalog Number:

AG01BF4S

Chemical Name:

1-[4-(2-methylpropoxy)phenyl]cyclopentane-1-carbonitrile

CAS Number:

23528-53-2

Molecular Formula:

C16H21NO

Molecular Weight:

243.3440

MDL Number:

MFCD11188893

IUPAC Name:

1-[4-(2-methylpropoxy)phenyl]cyclopentane-1-carbonitrile

InChI:

InChI=1S/C16H21NO/c1-13(2)11-18-15-7-5-14(6-8-15)16(12-17)9-3-4-10-16/h5-8,13H,3-4,9-11H2,1-2H3

InChI Key:

LNPWULJNMATWNM-UHFFFAOYSA-N

SMILES:

CC(COc1ccc(cc1)C1(CCCC1)C#N)C

Complexity:

300

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

243.162g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

243.35g/mol

Monoisotopic Mass:

243.162g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

33A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.3