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35005-61-9 | 3-Amino-3-(4-nitrophenyl)propionic acid
CAS No: 35005-61-9 Catalog No: AG003IUW MDL No:
Product Description
Catalog Number:
AG003IUW
Chemical Name:
3-Amino-3-(4-nitrophenyl)propionic acid
CAS Number:
35005-61-9
IUPAC Name:
3-(4-nitroanilino)propanoic acid
InChI:
InChI=1S/C9H10N2O4/c12-9(13)5-6-10-7-1-3-8(4-2-7)11(14)15/h1-4,10H,5-6H2,(H,12,13)
InChI Key:
CKMRSZAIJYEUKL-UHFFFAOYSA-N
EC Number:
252-316-5
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.189g/mol
Monoisotopic Mass:
210.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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