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Home > Aldehydes > 1257849-73-2
1257849-73-2 | 3-METHYL-1H-PYRAZOLE-4-CARBALDEHYDE HYDROCHLORIDE
CAS No: 1257849-73-2 Catalog No: AG00A0YQ MDL No:
Product Description
Catalog Number:
AG00A0YQ
Chemical Name:
3-METHYL-1H-PYRAZOLE-4-CARBALDEHYDE HYDROCHLORIDE
CAS Number:
1257849-73-2
Molecular Formula:
C5H7ClN2O
Molecular Weight:
146.5749
IUPAC Name:
5-methyl-1H-pyrazole-4-carbaldehyde
InChI:
InChI=1S/C5H6N2O/c1-4-5(3-8)2-6-7-4/h2-3H,1H3,(H,6,7)
InChI Key:
NWDMGTFNIOCVDU-UHFFFAOYSA-N
SMILES:
Cc1n[nH]cc1C=O.Cl
Properties
Complexity:
94.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.048g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
110.116g/mol
Monoisotopic Mass:
110.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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