名称: 2-(phenylmethoxycarbonylamino)pentanedioate
SMILES:
C1=CC=C(C=C1)COC(=O)NC(CCC(=O)[O-])C(=O)[O-]Molecular Processing
Molecular formula
C13H13NO6-2
Molecular weight
279.25
Exact mass
279.0754
XLogP
-1.44
TPSA
118.59
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
-2
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
62.8
Supplementary Information
InChIKey: PVFCXMDXBIEMQG-UHFFFAOYSA-L
同義語
PVFCXMDXBIEMQG-UHFFFAOYSA-L[((benzyloxy)carbonyl]amino}pentanedioate
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