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36476-87-6 | 1-Benzhydrylazetidine-3-carboxylic acid
CAS No: 36476-87-6 Catalog No: AG0038S7 MDL No:MFCD01566539
Product Description
Catalog Number:
AG0038S7
Chemical Name:
1-Benzhydrylazetidine-3-carboxylic acid
CAS Number:
36476-87-6
Molecular Formula:
C17H17NO2
Molecular Weight:
267.3224
MDL Number:
MFCD01566539
IUPAC Name:
1-benzhydrylazetidine-3-carboxylic acid
InChI:
InChI=1S/C17H17NO2/c19-17(20)15-11-18(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,20)
InChI Key:
BRSCYENHLCPOAU-UHFFFAOYSA-N
SMILES:
OC(=O)C1CN(C1)C(c1ccccc1)c1ccccc1
Properties
Complexity:
308
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:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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