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Home > Nitro Compounds > 67428-02-8
67428-02-8 | Nitrous acid, 3-butenyl ester
CAS No: 67428-02-8 Catalog No: AG005OHA MDL No:
Product Description
Catalog Number:
AG005OHA
Chemical Name:
Nitrous acid, 3-butenyl ester
CAS Number:
67428-02-8
Molecular Formula:
C4H7NO2
Molecular Weight:
101.1039
IUPAC Name:
but-3-enyl nitrite
InChI:
InChI=1S/C4H7NO2/c1-2-3-4-7-5-6/h2H,1,3-4H2
InChI Key:
JFVMWIXTRPVTDB-UHFFFAOYSA-N
SMILES:
C=CCCON=O
Properties
Complexity:
62.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
101.048g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
101.105g/mol
Monoisotopic Mass:
101.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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