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84163-42-8 | 1-Formylpiperidine-4-carboxylic acid
CAS No: 84163-42-8 Catalog No: AG003ECH MDL No:MFCD03425206
Product Description
Catalog Number:
AG003ECH
Chemical Name:
1-Formylpiperidine-4-carboxylic acid
CAS Number:
84163-42-8
Molecular Formula:
C7H11NO3
Molecular Weight:
157.1671
MDL Number:
MFCD03425206
IUPAC Name:
1-formylpiperidine-4-carboxylic acid
InChI:
InChI=1S/C7H11NO3/c9-5-8-3-1-6(2-4-8)7(10)11/h5-6H,1-4H2,(H,10,11)
InChI Key:
IZNTWTMLHCGAJU-UHFFFAOYSA-N
SMILES:
O=CN1CCC(CC1)C(=O)O
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.169g/mol
Monoisotopic Mass:
157.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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