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123295-77-2 | 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, methyl ester
CAS No: 123295-77-2 Catalog No: AG000K9Z MDL No:
Product Description
Catalog Number:
AG000K9Z
Chemical Name:
1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, methyl ester
CAS Number:
123295-77-2
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
IUPAC Name:
methyl 1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
InChI:
InChI=1S/C8H11NO2/c1-11-8(10)7-3-2-6-4-5-9(6)7/h3,6H,2,4-5H2,1H3
InChI Key:
HUXTVSUYYQISRD-UHFFFAOYSA-N
SMILES:
COC(=O)C1=CCC2N1CC2
Properties
Complexity:
222
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:
0
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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