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1260605-35-3 | 1H-Pyrrolo[3,4-c]pyridine-5,7a-dicarboxylic acid, hexahydro-, 7a-ethyl 5-(phenylmethyl) ester, hydrochloride (1:1), (3aS,7aS)-
CAS No: 1260605-35-3 Catalog No: AG000QVA MDL No:
Product Description
Catalog Number:
AG000QVA
Chemical Name:
1H-Pyrrolo[3,4-c]pyridine-5,7a-dicarboxylic acid, hexahydro-, 7a-ethyl 5-(phenylmethyl) ester, hydrochloride (1:1), (3aS,7aS)-
CAS Number:
1260605-35-3
IUPAC Name:
5-O-benzyl 7a-O-ethyl (3aS,7aS)-2,3,3a,4,6,7-hexahydro-1H-pyrrolo[3,4-c]pyridine-5,7a-dicarboxylate;hydrochloride
InChI:
InChI=1S/C18H24N2O4.ClH/c1-2-23-16(21)18-8-9-20(11-15(18)10-19-13-18)17(22)24-12-14-6-4-3-5-7-14;/h3-7,15,19H,2,8-13H2,1H3;1H/t15-,18+;/m0./s1
InChI Key:
XJRTYGDEXFPWIU-QVNYQEOOSA-N
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
368.15g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
368.858g/mol
Monoisotopic Mass:
368.15g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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