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1001500-80-6 | 1H-Pyrazol-4-amine, 1-(methoxymethyl)-
CAS No: 1001500-80-6 Catalog No: AG00013V MDL No:MFCD04969823
Product Description
Catalog Number:
AG00013V
Chemical Name:
1H-Pyrazol-4-amine, 1-(methoxymethyl)-
CAS Number:
1001500-80-6
Molecular Formula:
C5H9N3O
Molecular Weight:
127.1445
MDL Number:
MFCD04969823
IUPAC Name:
1-(methoxymethyl)pyrazol-4-amine
InChI:
InChI=1S/C5H9N3O/c1-9-4-8-3-5(6)2-7-8/h2-3H,4,6H2,1H3
InChI Key:
MIBJLZRVWQFOMK-UHFFFAOYSA-N
SMILES:
COCn1cc(cn1)N
Properties
Complexity:
88.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.075g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
127.147g/mol
Monoisotopic Mass:
127.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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