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1882200-51-2 | 4-(1,2,3,6-tetrahydropyridin-4-yl)benzaldehyde
CAS No: 1882200-51-2 Catalog No: AG01CA3E MDL No:MFCD31456717
Product Description
Catalog Number:
AG01CA3E
Chemical Name:
4-(1,2,3,6-tetrahydropyridin-4-yl)benzaldehyde
CAS Number:
1882200-51-2
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
MDL Number:
MFCD31456717
IUPAC Name:
4-(1,2,3,6-tetrahydropyridin-4-yl)benzaldehyde
InChI:
InChI=1S/C12H13NO/c14-9-10-1-3-11(4-2-10)12-5-7-13-8-6-12/h1-5,9,13H,6-8H2
InChI Key:
RXPOSGSXOBDVBZ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C1=CCNCC1
Properties
Complexity:
227
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:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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