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126580-08-3 | Pentanoic acid, 2-diazo-3-hydroxy-, ethyl ester
CAS No: 126580-08-3 Catalog No: AG000SZ1 MDL No:
Product Description
Catalog Number:
AG000SZ1
Chemical Name:
Pentanoic acid, 2-diazo-3-hydroxy-, ethyl ester
CAS Number:
126580-08-3
Molecular Formula:
C7H12N2O3
Molecular Weight:
172.1818
IUPAC Name:
ethyl 2-diazo-3-hydroxypentanoate
InChI:
InChI=1S/C7H12N2O3/c1-3-5(10)6(9-8)7(11)12-4-2/h5,10H,3-4H2,1-2H3
InChI Key:
YRWYMVZRTGZASN-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=[N+]=[N-])C(CC)O
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.085g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.184g/mol
Monoisotopic Mass:
172.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1
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