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2591-84-6 | 1-Piperidinecarboxaldehyde, 3-methyl-
CAS No: 2591-84-6 Catalog No: AG002R05 MDL No:
Product Description
Catalog Number:
AG002R05
Chemical Name:
1-Piperidinecarboxaldehyde, 3-methyl-
CAS Number:
2591-84-6
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
IUPAC Name:
3-methylpiperidine-1-carbaldehyde
InChI:
InChI=1S/C7H13NO/c1-7-3-2-4-8(5-7)6-9/h6-7H,2-5H2,1H3
InChI Key:
DZFZYIQSJQMOHP-UHFFFAOYSA-N
SMILES:
O=CN1CCCC(C1)C
EC Number:
219-985-5
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.1g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.187g/mol
Monoisotopic Mass:
127.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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