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69060-18-0 | 3,3-DIMETHYL-2-METHYLENE-BUTYRALDEHYDE
CAS No: 69060-18-0 Catalog No: AG005YJN MDL No:MFCD09032732
Product Description
Catalog Number:
AG005YJN
Chemical Name:
3,3-DIMETHYL-2-METHYLENE-BUTYRALDEHYDE
CAS Number:
69060-18-0
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
MDL Number:
MFCD09032732
IUPAC Name:
3,3-dimethyl-2-methylidenebutanal
InChI:
InChI=1S/C7H12O/c1-6(5-8)7(2,3)4/h5H,1H2,2-4H3
InChI Key:
DHGPQZABCDXAEA-UHFFFAOYSA-N
SMILES:
O=CC(=C)C(C)(C)C
Properties
Complexity:
106
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:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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