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147950-39-8 | Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(aminocarbonyl)-
CAS No: 147950-39-8 Catalog No: AG001FBE MDL No:
Product Description
Catalog Number:
AG001FBE
Chemical Name:
Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(aminocarbonyl)-
CAS Number:
147950-39-8
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
IUPAC Name:
3-carbamoylbicyclo[1.1.1]pentane-1-carboxylic acid
InChI:
InChI=1S/C7H9NO3/c8-4(9)6-1-7(2-6,3-6)5(10)11/h1-3H2,(H2,8,9)(H,10,11)
InChI Key:
FUYAYJYNPZQVKF-UHFFFAOYSA-N
SMILES:
NC(=O)C12CC(C1)(C2)C(=O)O
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.058g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
155.153g/mol
Monoisotopic Mass:
155.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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