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Home > Nitro Compounds > 85546-27-6
85546-27-6 | D-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester
CAS No: 85546-27-6 Catalog No: AG00IDP8 MDL No:MFCD01862290
Product Description
Catalog Number:
AG00IDP8
Chemical Name:
D-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester
CAS Number:
85546-27-6
MDL Number:
MFCD01862290
IUPAC Name:
(4-nitrophenyl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
InChI:
InChI=1S/C14H18N2O6/c1-9(15-13(18)22-14(2,3)4)12(17)21-11-7-5-10(6-8-11)16(19)20/h5-9H,1-4H3,(H,15,18)/t9-/m1/s1
InChI Key:
SUHFNHHZORGDFI-SECBINFHSA-N
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
310.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.306g/mol
Monoisotopic Mass:
310.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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