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88661-55-6 | 1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-1-propylidene-
CAS No: 88661-55-6 Catalog No: AG0048HY MDL No:
Product Description
Catalog Number:
AG0048HY
Chemical Name:
1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-1-propylidene-
CAS Number:
88661-55-6
Molecular Formula:
C14H16N2
Molecular Weight:
212.2902
IUPAC Name:
1-propylidene-2,3,4,9-tetrahydropyrido[3,4-b]indole
InChI:
InChI=1S/C14H16N2/c1-2-5-13-14-11(8-9-15-13)10-6-3-4-7-12(10)16-14/h3-7,15-16H,2,8-9H2,1H3
InChI Key:
VQZJYJUPBPSURY-UHFFFAOYSA-N
SMILES:
CCC=C1NCCc2c1[nH]c1c2cccc1
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.296g/mol
Monoisotopic Mass:
212.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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