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130309-37-4 | 1H-Indole-1,2-dicarboxylic acid, octahydro-, 1-(9H-fluoren-9-ylmethyl) ester, (2S,3aS,7aS)-
CAS No: 130309-37-4 Catalog No: AG000U98 MDL No:MFCD00191201
Product Description
Catalog Number:
AG000U98
Chemical Name:
1H-Indole-1,2-dicarboxylic acid, octahydro-, 1-(9H-fluoren-9-ylmethyl) ester, (2S,3aS,7aS)-
CAS Number:
130309-37-4
Molecular Formula:
C24H24NO4-
Molecular Weight:
390.4517
MDL Number:
MFCD00191201
IUPAC Name:
(2S,3aS,7aS)-1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
InChI:
InChI=1S/C24H25NO4/c26-23(27)22-13-15-7-1-6-12-21(15)25(22)24(28)29-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-5,8-11,15,20-22H,1,6-7,12-14H2,(H,26,27)/t15-,21-,22-/m0/s1
InChI Key:
JBZXLQHJZHITMW-RXYZOABWSA-N
SMILES:
[O-]C(=O)[C@@H]1C[C@H]2[C@@H](N1C(=O)OCC1c3ccccc3c3c1cccc3)CCCC2
Properties
Complexity:
614
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
391.178g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
391.467g/mol
Monoisotopic Mass:
391.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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