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Home > Other Heterocycles > 919288-17-8
919288-17-8 | Benzoic acid, 4-(3-azabicyclo[3.1.0]hex-1-yl)-
CAS No: 919288-17-8 Catalog No: AG006JX8 MDL No:
Product Description
Catalog Number:
AG006JX8
Chemical Name:
Benzoic acid, 4-(3-azabicyclo[3.1.0]hex-1-yl)-
CAS Number:
919288-17-8
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
IUPAC Name:
4-(3-azabicyclo[3.1.0]hexan-1-yl)benzoic acid
InChI:
InChI=1S/C12H13NO2/c14-11(15)8-1-3-9(4-2-8)12-5-10(12)6-13-7-12/h1-4,10,13H,5-7H2,(H,14,15)
InChI Key:
YDSXYUALWWNMQW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)C12CNCC2C1
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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