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2749-97-5 | Benzene, 1-methoxy-4-(1,2-propadien-1-yl)-
CAS No: 2749-97-5 Catalog No: AG002TX5 MDL No:
Product Description
Catalog Number:
AG002TX5
Chemical Name:
Benzene, 1-methoxy-4-(1,2-propadien-1-yl)-
CAS Number:
2749-97-5
Molecular Formula:
C10H10O
Molecular Weight:
146.1858
IUPAC Name:
1-methoxy-4-propa-1,2-dienylbenzene
InChI:
InChI=1S/C10H10O/c1-3-4-9-5-7-10(11-2)8-6-9/h4-8H,1H2,2H3
InChI Key:
VFWWHPHTDJPSRP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C=C=C
Properties
Complexity:
148
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.073g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.189g/mol
Monoisotopic Mass:
146.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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