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1041465-89-7 | (2S)-2-amino-2-{bicyclo[2.2.1]hept-5-en-2-yl}acetic acid
CAS No: 1041465-89-7 Catalog No: AG01FMKA MDL No:MFCD30011211
Product Description
Catalog Number:
AG01FMKA
Chemical Name:
(2S)-2-amino-2-{bicyclo[2.2.1]hept-5-en-2-yl}acetic acid
CAS Number:
1041465-89-7
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD30011211
IUPAC Name:
2-amino-2-(2-bicyclo[2.2.1]hept-5-enyl)acetic acid
InChI:
InChI=1S/C9H13NO2/c10-8(9(11)12)7-4-5-1-2-6(7)3-5/h1-2,5-8H,3-4,10H2,(H,11,12)
InChI Key:
IHDSFYHRZSBSGS-UHFFFAOYSA-N
SMILES:
N[C@H](C(=O)O)C1CC2CC1C=C2
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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