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71243-89-5 | buta-1,3-diene; oxirane; prop-2-enenitrile
CAS No: 71243-89-5 Catalog No: AG005K1H MDL No:
Product Description
Catalog Number:
AG005K1H
Chemical Name:
buta-1,3-diene; oxirane; prop-2-enenitrile
CAS Number:
71243-89-5
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
IUPAC Name:
buta-1,3-diene;oxirane;prop-2-enenitrile
InChI:
InChI=1S/C4H6.C3H3N.C2H4O/c1-3-4-2;1-2-3-4;1-2-3-1/h3-4H,1-2H2;2H,1H2;1-2H2
InChI Key:
UGZKITOTRVKVFH-UHFFFAOYSA-N
SMILES:
O1CC1.C=CC=C.C=CC#N
Properties
Complexity:
86.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.1g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.209g/mol
Monoisotopic Mass:
151.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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