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16277-67-1 | Benzene, (3-methoxy-1-propen-1-yl)-
CAS No: 16277-67-1 Catalog No: AG001TF6 MDL No:
Product Description
Catalog Number:
AG001TF6
Chemical Name:
Benzene, (3-methoxy-1-propen-1-yl)-
CAS Number:
16277-67-1
Molecular Formula:
C10H12O
Molecular Weight:
148.2017
IUPAC Name:
[(E)-3-methoxyprop-1-enyl]benzene
InChI:
InChI=1S/C10H12O/c1-11-9-5-8-10-6-3-2-4-7-10/h2-8H,9H2,1H3/b8-5+
InChI Key:
XOURNDFHPYLQDJ-VMPITWQZSA-N
SMILES:
COCC=Cc1ccccc1
EC Number:
240-377-0
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
148.089g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.205g/mol
Monoisotopic Mass:
148.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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