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143878-74-4 | 1,3-Pentadiene, 1-methoxy-2-methyl-
CAS No: 143878-74-4 Catalog No: AG001IJU MDL No:
Product Description
Catalog Number:
AG001IJU
Chemical Name:
1,3-Pentadiene, 1-methoxy-2-methyl-
CAS Number:
143878-74-4
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
IUPAC Name:
1-methoxy-2-methylpenta-1,3-diene
InChI:
InChI=1S/C7H12O/c1-4-5-7(2)6-8-3/h4-6H,1-3H3
InChI Key:
NFAYXMBSJZOGCY-UHFFFAOYSA-N
SMILES:
COC=C(C=CC)C
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.089g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.172g/mol
Monoisotopic Mass:
112.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.3
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