Name: Name:[1,1'-Biphenyl]-3-carboxylic acid, 3'-cyano-5-(hydroxymethyl)-, methylester
Brand: Angene
SKU: AG00IM12
Rating: 90 (10 reviews)

[1,1'-Biphenyl]-3-carboxylic acid, 3'-cyano-5-(hydroxymethyl)-, methylester

CAS No.:

225657-76-1

Catalog Number:

AG00IM12

Molecular Formula:

C16H13NO3

Molecular Weight:

267.2793

Catalog Number:

AG00IM12

Chemical Name:

[1,1'-Biphenyl]-3-carboxylic acid, 3'-cyano-5-(hydroxymethyl)-, methylester

CAS Number:

225657-76-1

Molecular Formula:

C16H13NO3

Molecular Weight:

267.2793

MDL Number:

MFCD31380073

IUPAC Name:

methyl 3-(3-cyanophenyl)-5-(hydroxymethyl)benzoate

InChI:

InChI=1S/C16H13NO3/c1-20-16(19)15-7-12(10-18)6-14(8-15)13-4-2-3-11(5-13)9-17/h2-8,18H,10H2,1H3

InChI Key:

HBXPSWJWZGRZCS-UHFFFAOYSA-N

SMILES:

OCc1cc(cc(c1)C(=O)OC)c1cccc(c1)C#N

Complexity:

386

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

267.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

267.284g/mol

Monoisotopic Mass:

267.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2