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155290-47-4 | Hydrazinecarboxylic acid, 2-(2-carboxyphenyl)-, 1-(1,1-dimethylethyl) ester
CAS No: 155290-47-4 Catalog No: AG001NSZ MDL No:MFCD06658359
Product Description
Catalog Number:
AG001NSZ
Chemical Name:
Hydrazinecarboxylic acid, 2-(2-carboxyphenyl)-, 1-(1,1-dimethylethyl) ester
CAS Number:
155290-47-4
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
MDL Number:
MFCD06658359
IUPAC Name:
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]benzoic acid
InChI:
InChI=1S/C12H16N2O4/c1-12(2,3)18-11(17)14-13-9-7-5-4-6-8(9)10(15)16/h4-7,13H,1-3H3,(H,14,17)(H,15,16)
InChI Key:
DTTSVUPYGSOJER-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NNc1ccccc1C(=O)O
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
252.27g/mol
Monoisotopic Mass:
252.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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