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887595-98-4 | 1-(4-Nitrophenyl);azetidine-3-carboxylic acid
CAS No: 887595-98-4 Catalog No: AG004BI7 MDL No:MFCD07787209
Product Description
Catalog Number:
AG004BI7
Chemical Name:
1-(4-Nitrophenyl);azetidine-3-carboxylic acid
CAS Number:
887595-98-4
Molecular Formula:
C10H10N2O4
Molecular Weight:
222.1974
MDL Number:
MFCD07787209
IUPAC Name:
1-(4-nitrophenyl)azetidine-3-carboxylic acid
InChI:
InChI=1S/C10H10N2O4/c13-10(14)7-5-11(6-7)8-1-3-9(4-2-8)12(15)16/h1-4,7H,5-6H2,(H,13,14)
InChI Key:
RACDUYKKXZNEMY-UHFFFAOYSA-N
SMILES:
OC(=O)C1CN(C1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.2g/mol
Monoisotopic Mass:
222.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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