Name: Name:5,6,7,8-Tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxylic acid
Brand: Angene
SKU: AG007GQG
Rating: 90 (10 reviews)

5,6,7,8-Tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxylic acid

CAS No.:

33230-32-9

Catalog Number:

AG007GQG

Molecular Formula:

C9H11NO3

Molecular Weight:

181.1885

Catalog Number:

AG007GQG

Chemical Name:

5,6,7,8-Tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxylic acid

CAS Number:

33230-32-9

Molecular Formula:

C9H11NO3

Molecular Weight:

181.1885

MDL Number:

MFCD04969900

IUPAC Name:

5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxylic acid

InChI:

InChI=1S/C9H11NO3/c11-9(12)8-6-4-2-1-3-5-7(6)13-10-8/h1-5H2,(H,11,12)

InChI Key:

IOXIIOUTRNRNQM-UHFFFAOYSA-N

SMILES:

OC(=O)c1noc2c1CCCCC2

Complexity:

207

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

181.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

181.191g/mol

Monoisotopic Mass:

181.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: