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133153-67-0 | Benzeneacetic acid, α-hydroxy-α-(nitromethyl)-, ethyl ester
CAS No: 133153-67-0 Catalog No: AG0014BS MDL No:
Product Description
Catalog Number:
AG0014BS
Chemical Name:
Benzeneacetic acid, α-hydroxy-α-(nitromethyl)-, ethyl ester
CAS Number:
133153-67-0
Molecular Formula:
C11H13NO5
Molecular Weight:
239.2246
IUPAC Name:
ethyl 2-hydroxy-3-nitro-2-phenylpropanoate
InChI:
InChI=1S/C11H13NO5/c1-2-17-10(13)11(14,8-12(15)16)9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3
InChI Key:
NUIJCRLPLANDTO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccccc1)(C[N+](=O)[O-])O
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.227g/mol
Monoisotopic Mass:
239.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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