Name: Name:2-(Tert-Butoxycarbonyl)-5-Thia-2-Azaspiro[3.4]Octane-8-Carboxylic Acid
Brand: Angene
SKU: AG00HUVG
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2-(Tert-Butoxycarbonyl)-5-Thia-2-Azaspiro[3.4]Octane-8-Carboxylic Acid

CAS No.:

1373029-39-0

Catalog Number:

AG00HUVG

Molecular Formula:

C12H19NO4S

Molecular Weight:

273.3486

Catalog Number:

AG00HUVG

Chemical Name:

2-(Tert-Butoxycarbonyl)-5-Thia-2-Azaspiro[3.4]Octane-8-Carboxylic Acid

CAS Number:

1373029-39-0

Molecular Formula:

C12H19NO4S

Molecular Weight:

273.3486

MDL Number:

MFCD22209752

IUPAC Name:

2-[(2-methylpropan-2-yl)oxycarbonyl]-5-thia-2-azaspiro[3.4]octane-8-carboxylic acid

InChI:

InChI=1S/C12H19NO4S/c1-11(2,3)17-10(16)13-6-12(7-13)8(9(14)15)4-5-18-12/h8H,4-7H2,1-3H3,(H,14,15)

InChI Key:

DUYKPSAHFAIBRQ-UHFFFAOYSA-N

SMILES:

OC(=O)C1CCSC21CN(C2)C(=O)OC(C)(C)C

Complexity:

371

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

273.103g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

273.347g/mol

Monoisotopic Mass:

273.103g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1