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1178080-83-5 | [Cyclopropyl-(4-nitro-benzyl)-amino]-acetic acid
CAS No: 1178080-83-5 Catalog No: AG01F9FP MDL No:
Product Description
Catalog Number:
AG01F9FP
Chemical Name:
[Cyclopropyl-(4-nitro-benzyl)-amino]-acetic acid
CAS Number:
1178080-83-5
Molecular Formula:
C12H14N2O4
Molecular Weight:
250.2506
IUPAC Name:
2-[cyclopropyl-[(4-nitrophenyl)methyl]amino]acetic acid
InChI:
InChI=1S/C12H14N2O4/c15-12(16)8-13(10-5-6-10)7-9-1-3-11(4-2-9)14(17)18/h1-4,10H,5-8H2,(H,15,16)
InChI Key:
UMMCFHVNCUVSAC-UHFFFAOYSA-N
SMILES:
OC(=O)CN(C1CC1)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.254g/mol
Monoisotopic Mass:
250.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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