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130687-30-8 | 2-Azabicyclo[2.2.1]hept-5-ene-2-acetic acid
CAS No: 130687-30-8 Catalog No: AG000UTJ MDL No:
Product Description
Catalog Number:
AG000UTJ
Chemical Name:
2-Azabicyclo[2.2.1]hept-5-ene-2-acetic acid
CAS Number:
130687-30-8
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
IUPAC Name:
2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)acetic acid
InChI:
InChI=1S/C8H11NO2/c10-8(11)5-9-4-6-1-2-7(9)3-6/h1-2,6-7H,3-5H2,(H,10,11)
InChI Key:
YKXJWSJTCMNFNW-UHFFFAOYSA-N
SMILES:
OC(=O)CN1CC2CC1C=C2
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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