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2047-89-4 | Cyclohept[b]indole, 5,6,7,8,9,10-hexahydro-
CAS No: 2047-89-4 Catalog No: AG0029NN MDL No:MFCD00101340
Product Description
Catalog Number:
AG0029NN
Chemical Name:
Cyclohept[b]indole, 5,6,7,8,9,10-hexahydro-
CAS Number:
2047-89-4
Molecular Formula:
C13H15N
Molecular Weight:
185.2649
MDL Number:
MFCD00101340
IUPAC Name:
5,6,7,8,9,10-hexahydrocyclohepta[b]indole
InChI:
InChI=1S/C13H15N/c1-2-6-10-11-7-4-5-9-13(11)14-12(10)8-3-1/h4-5,7,9,14H,1-3,6,8H2
InChI Key:
XZUJMYLNFZHNLP-UHFFFAOYSA-N
SMILES:
C1CCc2c(CC1)c1c([nH]2)cccc1
NSC Number:
73038
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.27g/mol
Monoisotopic Mass:
185.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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