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28860-96-0 | Benzenepropanoic acid, α-hydrazinyl-3,4-dimethoxy-α-methyl-, (αS)-
CAS No: 28860-96-0 Catalog No: AG002WVR MDL No:MFCD08063342
Product Description
Catalog Number:
AG002WVR
Chemical Name:
Benzenepropanoic acid, α-hydrazinyl-3,4-dimethoxy-α-methyl-, (αS)-
CAS Number:
28860-96-0
Molecular Formula:
C12H18N2O4
Molecular Weight:
254.2823
MDL Number:
MFCD08063342
IUPAC Name:
3-(3,4-dimethoxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
InChI:
InChI=1S/C12H18N2O4/c1-12(14-13,11(15)16)7-8-4-5-9(17-2)10(6-8)18-3/h4-6,14H,7,13H2,1-3H3,(H,15,16)
InChI Key:
RPCRUCVXKKSQBD-UHFFFAOYSA-N
SMILES:
NN[C@](C(=O)O)(Cc1ccc(c(c1)OC)OC)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.127g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
254.286g/mol
Monoisotopic Mass:
254.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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