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78326-59-7 | 1-Propanol,2-[(2-hydroxyethyl)nitrosoamino]-
CAS No: 78326-59-7 Catalog No: AG0053PX MDL No:
Product Description
Catalog Number:
AG0053PX
Chemical Name:
1-Propanol,2-[(2-hydroxyethyl)nitrosoamino]-
CAS Number:
78326-59-7
Molecular Formula:
C5H12N2O3
Molecular Weight:
148.1604
IUPAC Name:
N-(2-hydroxyethyl)-N-(1-hydroxypropan-2-yl)nitrous amide
InChI:
InChI=1S/C5H12N2O3/c1-5(4-9)7(6-10)2-3-8/h5,8-9H,2-4H2,1H3
InChI Key:
KBVFODFEGVNTCP-UHFFFAOYSA-N
SMILES:
OCCN(C(CO)C)N=O
Properties
Complexity:
98.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.085g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
148.162g/mol
Monoisotopic Mass:
148.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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