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1005-19-2 | Bicyclo[4.2.0]octa-1,3,5-triene-7-methanamine
CAS No: 1005-19-2 Catalog No: AG00025T MDL No:MFCD06213241
Product Description
Catalog Number:
AG00025T
Chemical Name:
Bicyclo[4.2.0]octa-1,3,5-triene-7-methanamine
CAS Number:
1005-19-2
Molecular Formula:
C9H11N
Molecular Weight:
133.1903
MDL Number:
MFCD06213241
IUPAC Name:
7-bicyclo[4.2.0]octa-1,3,5-trienylmethanamine
InChI:
InChI=1S/C9H11N/c10-6-8-5-7-3-1-2-4-9(7)8/h1-4,8H,5-6,10H2
InChI Key:
UOQNRKZMXTYCNA-UHFFFAOYSA-N
SMILES:
NCC1Cc2c1cccc2
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.089g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
133.194g/mol
Monoisotopic Mass:
133.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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