Name: Name:1,2,3-Pyridazinetricarboxylic acid, tetrahydro-,1,2-bis(1,1-dimethylethyl) ester, (3S)-
Brand: Angene
SKU: AG00IM0X
Rating: 90 (10 reviews)

1,2,3-Pyridazinetricarboxylic acid, tetrahydro-,1,2-bis(1,1-dimethylethyl) ester, (3S)-

CAS No.:

156699-39-7

Catalog Number:

AG00IM0X

Molecular Formula:

C15H26N2O6

Molecular Weight:

330.3767

Catalog Number:

AG00IM0X

Chemical Name:

1,2,3-Pyridazinetricarboxylic acid, tetrahydro-,1,2-bis(1,1-dimethylethyl) ester, (3S)-

CAS Number:

156699-39-7

Molecular Formula:

C15H26N2O6

Molecular Weight:

330.3767

MDL Number:

MFCD23099733

IUPAC Name:

(3S)-1,2-bis[(2-methylpropan-2-yl)oxycarbonyl]diazinane-3-carboxylic acid

InChI:

InChI=1S/C15H26N2O6/c1-14(2,3)22-12(20)16-9-7-8-10(11(18)19)17(16)13(21)23-15(4,5)6/h10H,7-9H2,1-6H3,(H,18,19)/t10-/m0/s1

InChI Key:

MLXHSDCSBUGOLZ-JTQLQIEISA-N

SMILES:

OC(=O)[C@@H]1CCCN(N1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Complexity:

477

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

330.179g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

330.381g/mol

Monoisotopic Mass:

330.179g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

96.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3