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89538-80-7 | 1,2-Heptadiene, 4-methoxy-6-methyl-
CAS No: 89538-80-7 Catalog No: AG00403S MDL No:
Product Description
Catalog Number:
AG00403S
Chemical Name:
1,2-Heptadiene, 4-methoxy-6-methyl-
CAS Number:
89538-80-7
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
IUPAC Name:
4-methoxy-6-methylhepta-1,2-diene
InChI:
InChI=1S/C9H16O/c1-5-6-9(10-4)7-8(2)3/h6,8-9H,1,7H2,2-4H3
InChI Key:
XHKCHWDKEJBIAJ-UHFFFAOYSA-N
SMILES:
COC(C=C=C)CC(C)C
Properties
Complexity:
121
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.12g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.226g/mol
Monoisotopic Mass:
140.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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