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771572-29-3 | 3-Furanmethanamine,5-methyl-2-phenyl-
CAS No: 771572-29-3 Catalog No: AG0055HX MDL No:MFCD06213531
Product Description
Catalog Number:
AG0055HX
Chemical Name:
3-Furanmethanamine,5-methyl-2-phenyl-
CAS Number:
771572-29-3
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
MDL Number:
MFCD06213531
IUPAC Name:
(5-methyl-2-phenylfuran-3-yl)methanamine
InChI:
InChI=1S/C12H13NO/c1-9-7-11(8-13)12(14-9)10-5-3-2-4-6-10/h2-7H,8,13H2,1H3
InChI Key:
PQZVRVFUCJMCRZ-UHFFFAOYSA-N
SMILES:
NCc1cc(oc1c1ccccc1)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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