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Home > Aldehydes > 1310738-85-2
1310738-85-2 | 3-(adamantan-1-yl)-1H-pyrazole-5-carbaldehyde
CAS No: 1310738-85-2 Catalog No: AG01A5NR MDL No:
Product Description
Catalog Number:
AG01A5NR
Chemical Name:
3-(adamantan-1-yl)-1H-pyrazole-5-carbaldehyde
CAS Number:
1310738-85-2
Molecular Formula:
C14H18N2O
Molecular Weight:
230.3055
IUPAC Name:
5-(1-adamantyl)-1H-pyrazole-3-carbaldehyde
InChI:
InChI=1S/C14H18N2O/c17-8-12-4-13(16-15-12)14-5-9-1-10(6-14)3-11(2-9)7-14/h4,8-11H,1-3,5-7H2,(H,15,16)
InChI Key:
WJWMHABTLFVRMT-UHFFFAOYSA-N
SMILES:
O=Cc1[nH]nc(c1)C12CC3CC(C2)CC(C1)C3
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.311g/mol
Monoisotopic Mass:
230.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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