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27841-84-5 | 1H-Pyrrolizine-7-carboxylic acid, 2,3,5,7a-tetrahydro-1-hydroxy-, (1S,7aR)-
CAS No: 27841-84-5 Catalog No: AG002UWV MDL No:
Product Description
Catalog Number:
AG002UWV
Chemical Name:
1H-Pyrrolizine-7-carboxylic acid, 2,3,5,7a-tetrahydro-1-hydroxy-, (1S,7aR)-
CAS Number:
27841-84-5
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
IUPAC Name:
(7S,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizine-1-carboxylic acid
InChI:
InChI=1S/C8H11NO3/c10-6-2-4-9-3-1-5(7(6)9)8(11)12/h1,6-7,10H,2-4H2,(H,11,12)/t6-,7+/m0/s1
InChI Key:
WSZTWPVDCMDTLF-NKWVEPMBSA-N
SMILES:
O[C@H]1CCN2[C@@H]1C(=CC2)C(=O)O
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
169.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.18g/mol
Monoisotopic Mass:
169.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
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