Home Other Building Blocks RACEMIC-(3AS,8R,8AS)-TERT-BUTYL 8-HYDROXY-3,3A,8,8A-TETRAHYDROINDENO[1,2-C]PYRROLE-2(1H)-CARBOXYLATE

RACEMIC-(3AS,8R,8AS)-TERT-BUTYL 8-HYDROXY-3,3A,8,8A-TETRAHYDROINDENO[1,2-C]PYRROLE-2(1H)-CARBOXYLATE

CAS No.:
1350475-48-7
Catalog Number:
AG01DM2Z
Molecular Formula:
C16H21NO3
Molecular Weight:
275.3428
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Product Description
Catalog Number:
AG01DM2Z
Chemical Name:
RACEMIC-(3AS,8R,8AS)-TERT-BUTYL 8-HYDROXY-3,3A,8,8A-TETRAHYDROINDENO[1,2-C]PYRROLE-2(1H)-CARBOXYLATE
CAS Number:
1350475-48-7
Molecular Formula:
C16H21NO3
Molecular Weight:
275.3428
MDL Number:
MFCD26131423
IUPAC Name:
tert-butyl (3aS,4R,8bS)-4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxylate
InChI:
InChI=1S/C16H21NO3/c1-16(2,3)20-15(19)17-8-12-10-6-4-5-7-11(10)14(18)13(12)9-17/h4-7,12-14,18H,8-9H2,1-3H3/t12-,13-,14+/m1/s1
InChI Key:
ISCNQMDGGSOEQD-MCIONIFRSA-N
SMILES:
O=C(N1C[C@H]2[C@@H](C1)c1c([C@@H]2O)cccc1)OC(C)(C)C
Properties
Complexity:
390  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
275.152g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
275.348g/mol
Monoisotopic Mass:
275.152g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties