Name: Name:methyl 4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carboxylate
Brand: Angene
SKU: AG01AFYB
Rating: 90 (10 reviews)

methyl 4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carboxylate

CAS No.:

1803611-76-8

Catalog Number:

AG01AFYB

Molecular Formula:

C10H13NO3

Molecular Weight:

195.2151

Catalog Number:

AG01AFYB

Chemical Name:

methyl 4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carboxylate

CAS Number:

1803611-76-8

Molecular Formula:

C10H13NO3

Molecular Weight:

195.2151

MDL Number:

MFCD27920277

IUPAC Name:

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

InChI:

InChI=1S/C10H13NO3/c1-13-10(12)9-7-5-3-2-4-6-8(7)14-11-9/h2-6H2,1H3

InChI Key:

VIGBXLIIAKWBCU-UHFFFAOYSA-N

SMILES:

COC(=O)c1noc2c1CCCCC2

Complexity:

219

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

195.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

195.218g/mol

Monoisotopic Mass:

195.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3