Name: Name:Isopropyl 3-cyano-4-isopropoxybenzoate
Brand: Angene
SKU: AG019EPE
Rating: 90 (10 reviews)

Isopropyl 3-cyano-4-isopropoxybenzoate

CAS No.:

1261173-10-7

Catalog Number:

AG019EPE

Molecular Formula:

C14H17NO3

Molecular Weight:

247.2897

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

95%

In Stock USA

United States

$425

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Catalog Number:

AG019EPE

Chemical Name:

Isopropyl 3-cyano-4-isopropoxybenzoate

CAS Number:

1261173-10-7

Molecular Formula:

C14H17NO3

Molecular Weight:

247.2897

MDL Number:

MFCD31652773

IUPAC Name:

propan-2-yl 3-cyano-4-propan-2-yloxybenzoate

InChI:

InChI=1S/C14H17NO3/c1-9(2)17-13-6-5-11(7-12(13)8-15)14(16)18-10(3)4/h5-7,9-10H,1-4H3

InChI Key:

PXOPMWGRVJKKHM-UHFFFAOYSA-N

SMILES:

N#Cc1cc(ccc1OC(C)C)C(=O)OC(C)C

Complexity:

329

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

247.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.294g/mol

Monoisotopic Mass:

247.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1