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Home > Aldehydes > 1557885-88-7
1557885-88-7 | 4-cyclopentyl-4H-1,2,4-triazole-3-carbaldehyde
CAS No: 1557885-88-7 Catalog No: AG01BM64 MDL No:MFCD28625666
Product Description
Catalog Number:
AG01BM64
Chemical Name:
4-cyclopentyl-4H-1,2,4-triazole-3-carbaldehyde
CAS Number:
1557885-88-7
Molecular Formula:
C8H11N3O
Molecular Weight:
165.1924
MDL Number:
MFCD28625666
IUPAC Name:
4-cyclopentyl-1,2,4-triazole-3-carbaldehyde
InChI:
InChI=1S/C8H11N3O/c12-5-8-10-9-6-11(8)7-3-1-2-4-7/h5-7H,1-4H2
InChI Key:
ZPNAEROKUPTMQC-UHFFFAOYSA-N
SMILES:
O=Cc1nncn1C1CCCC1
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.196g/mol
Monoisotopic Mass:
165.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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