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Home > Nitro Compounds > 91748-03-7
91748-03-7 | 2-(P-NITROPHENYL)-1,3-PROPANDIOL
CAS No: 91748-03-7 Catalog No: AG00GYBB MDL No:MFCD04117899
Product Description
Catalog Number:
AG00GYBB
Chemical Name:
2-(P-NITROPHENYL)-1,3-PROPANDIOL
CAS Number:
91748-03-7
Molecular Formula:
C9H11NO4
Molecular Weight:
197.1879
MDL Number:
MFCD04117899
IUPAC Name:
2-(4-nitrophenyl)propane-1,3-diol
InChI:
InChI=1S/C9H11NO4/c11-5-8(6-12)7-1-3-9(4-2-7)10(13)14/h1-4,8,11-12H,5-6H2
InChI Key:
LWDKPEXFAQGVTE-UHFFFAOYSA-N
SMILES:
OCC(c1ccc(cc1)N(=O)=O)CO
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.19g/mol
Monoisotopic Mass:
197.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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