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796845-56-2 | 3-(1-METHYL-1H-PYRAZOL-4-YL)PROPANOIC ACID
CAS No: 796845-56-2 Catalog No: AG0057B6 MDL No:MFCD04969921
Product Description
Catalog Number:
AG0057B6
Chemical Name:
3-(1-METHYL-1H-PYRAZOL-4-YL)PROPANOIC ACID
CAS Number:
796845-56-2
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
MDL Number:
MFCD04969921
IUPAC Name:
3-(1-methylpyrazol-4-yl)propanoic acid
InChI:
InChI=1S/C7H10N2O2/c1-9-5-6(4-8-9)2-3-7(10)11/h4-5H,2-3H2,1H3,(H,10,11)
InChI Key:
ZTSFRVGFCBTSDZ-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cnn(c1)C
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.169g/mol
Monoisotopic Mass:
154.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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