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938355-26-1 | 4-(3,4-dihydroquinolin-1(2H)-ylmethyl)benzoic acid
CAS No: 938355-26-1 Catalog No: AG00JI6C MDL No:MFCD09708248
Product Description
Catalog Number:
AG00JI6C
Chemical Name:
4-(3,4-dihydroquinolin-1(2H)-ylmethyl)benzoic acid
CAS Number:
938355-26-1
Molecular Formula:
C17H17NO2
Molecular Weight:
267.3224
MDL Number:
MFCD09708248
IUPAC Name:
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoic acid
InChI:
InChI=1S/C17H17NO2/c19-17(20)15-9-7-13(8-10-15)12-18-11-3-5-14-4-1-2-6-16(14)18/h1-2,4,6-10H,3,5,11-12H2,(H,19,20)
InChI Key:
OIDLJDDCCDOASW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)CN1CCCc2c1cccc2
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.328g/mol
Monoisotopic Mass:
267.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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