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202187-29-9 | Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-amino-, (1S,2R,3S,4R)-
CAS No: 202187-29-9 Catalog No: AG002846 MDL No:
Product Description
Catalog Number:
AG002846
Chemical Name:
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-amino-, (1S,2R,3S,4R)-
CAS Number:
202187-29-9
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
IUPAC Name:
(1S,2R,3S,4R)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid
InChI:
InChI=1S/C8H11NO2/c9-7-5-2-1-4(3-5)6(7)8(10)11/h1-2,4-7H,3,9H2,(H,10,11)/t4-,5+,6-,7+/m1/s1
InChI Key:
FCYFJGGJCJDCPB-UCROKIRRSA-N
SMILES:
OC(=O)[C@@H]1[C@@H]2C=C[C@H]([C@@H]1N)C2
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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