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915922-68-8 | 5-(3,4-DIHYDRO-2(1H)-ISOQUINOLINYLMETHYL)-2-FUROIC ACID
CAS No: 915922-68-8 Catalog No: AG006SZ2 MDL No:MFCD08691815
Product Description
Catalog Number:
AG006SZ2
Chemical Name:
5-(3,4-DIHYDRO-2(1H)-ISOQUINOLINYLMETHYL)-2-FUROIC ACID
CAS Number:
915922-68-8
Molecular Formula:
C15H15NO3
Molecular Weight:
257.2845
MDL Number:
MFCD08691815
IUPAC Name:
5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-carboxylic acid
InChI:
InChI=1S/C15H15NO3/c17-15(18)14-6-5-13(19-14)10-16-8-7-11-3-1-2-4-12(11)9-16/h1-6H,7-10H2,(H,17,18)
InChI Key:
FSZQPQFODLZUJH-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(o1)CN1CCc2c(C1)cccc2
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.289g/mol
Monoisotopic Mass:
257.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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