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Home > Aldehydes > 1803611-86-0
1803611-86-0 | 1-(3-methoxypropyl)-1H-pyrazole-5-carbaldehyde
CAS No: 1803611-86-0 Catalog No: AG01B8RS MDL No:MFCD28383760
Product Description
Catalog Number:
AG01B8RS
Chemical Name:
1-(3-methoxypropyl)-1H-pyrazole-5-carbaldehyde
CAS Number:
1803611-86-0
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD28383760
IUPAC Name:
2-(3-methoxypropyl)pyrazole-3-carbaldehyde
InChI:
InChI=1S/C8H12N2O2/c1-12-6-2-5-10-8(7-11)3-4-9-10/h3-4,7H,2,5-6H2,1H3
InChI Key:
MWHISNHTBZWDRM-UHFFFAOYSA-N
SMILES:
COCCCn1nccc1C=O
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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