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1638764-99-4 | Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(aminomethyl)-, methyl ester
CAS No: 1638764-99-4 Catalog No: AG001UI6 MDL No:MFCD27664943
Product Description
Catalog Number:
AG001UI6
Chemical Name:
Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(aminomethyl)-, methyl ester
CAS Number:
1638764-99-4
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
MDL Number:
MFCD27664943
IUPAC Name:
methyl 3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylate
InChI:
InChI=1S/C8H13NO2/c1-11-6(10)8-2-7(3-8,4-8)5-9/h2-5,9H2,1H3
InChI Key:
PJKRHYBIRWXCPO-UHFFFAOYSA-N
SMILES:
NCC12CC(C1)(C2)C(=O)OC
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.197g/mol
Monoisotopic Mass:
155.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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