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1632-16-2 | Heptane, 3-methylene-
CAS No: 1632-16-2 Catalog No: AG001TV7 MDL No:MFCD00027242
Product Description
Catalog Number:
AG001TV7
Chemical Name:
Heptane, 3-methylene-
CAS Number:
1632-16-2
Molecular Formula:
C8H16
Molecular Weight:
112.2126
MDL Number:
MFCD00027242
IUPAC Name:
3-methylideneheptane
InChI:
InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h3-7H2,1-2H3
InChI Key:
XTVRLCUJHGUXCP-UHFFFAOYSA-N
SMILES:
CCCCC(=C)CC
EC Number:
216-636-9
UNII:
9LQ21Q17WH
NSC Number:
19874
Properties
Complexity:
62.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.125g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.216g/mol
Monoisotopic Mass:
112.125g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Di-(2-ethylhexyl) phthalate and autism spectrum disorders. | ASN neuro 20120101 |
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