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1240134-87-5 | 4-(3
CAS No: 1240134-87-5 Catalog No: AG01FO8A MDL No:
Product Description
Catalog Number:
AG01FO8A
Chemical Name:
4-(3
CAS Number:
1240134-87-5
IUPAC Name:
4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzoic acid;hydrochloride
InChI:
InChI=1S/C13H14N2O2.ClH/c1-8-12(9(2)15-14-8)7-10-3-5-11(6-4-10)13(16)17;/h3-6H,7H2,1-2H3,(H,14,15)(H,16,17);1H
InChI Key:
VCTVACHLTXFEGP-UHFFFAOYSA-N
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.082g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
266.725g/mol
Monoisotopic Mass:
266.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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