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79421-40-2 | 4-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl);benzaldehyde
CAS No: 79421-40-2 Catalog No: AG005K3T MDL No:MFCD06659581
Product Description
Catalog Number:
AG005K3T
Chemical Name:
4-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl);benzaldehyde
CAS Number:
79421-40-2
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
MDL Number:
MFCD06659581
IUPAC Name:
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)benzaldehyde
InChI:
InChI=1S/C14H17NO3/c16-11-12-1-3-13(4-2-12)15-7-5-14(6-8-15)17-9-10-18-14/h1-4,11H,5-10H2
InChI Key:
NBKIWJFERFYECA-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)N1CCC2(CC1)OCCO2
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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