Name: Name:3-benzyl-5-methyl-1,2-oxazole-4-carboxylic acid
Brand: Angene
SKU: AG01C97X
Rating: 90 (10 reviews)

3-benzyl-5-methyl-1,2-oxazole-4-carboxylic acid

CAS No.:

1017165-31-9

Catalog Number:

AG01C97X

Molecular Formula:

C12H11NO3

Molecular Weight:

217.2206

Catalog Number:

AG01C97X

Chemical Name:

3-benzyl-5-methyl-1,2-oxazole-4-carboxylic acid

CAS Number:

1017165-31-9

Molecular Formula:

C12H11NO3

Molecular Weight:

217.2206

MDL Number:

MFCD07376065

IUPAC Name:

3-benzyl-5-methyl-1,2-oxazole-4-carboxylic acid

InChI:

InChI=1S/C12H11NO3/c1-8-11(12(14)15)10(13-16-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,15)

InChI Key:

CDAOOSNXQFJADJ-UHFFFAOYSA-N

SMILES:

OC(=O)c1c(noc1C)Cc1ccccc1

Complexity:

251

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

217.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

217.224g/mol

Monoisotopic Mass:

217.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3