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94481-70-6 | 4,7,7-Trimethylbicyclo(4.1.0)hept-4-ene-3-carbaldehyde
CAS No: 94481-70-6 Catalog No: AG006ABI MDL No:
Product Description
Catalog Number:
AG006ABI
Chemical Name:
4,7,7-Trimethylbicyclo(4.1.0)hept-4-ene-3-carbaldehyde
CAS Number:
94481-70-6
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
IUPAC Name:
4,7,7-trimethylbicyclo[4.1.0]hept-4-ene-3-carbaldehyde
InChI:
InChI=1S/C11H16O/c1-7-4-9-10(11(9,2)3)5-8(7)6-12/h4,6,8-10H,5H2,1-3H3
InChI Key:
MEJAQLNAKXUXHT-UHFFFAOYSA-N
SMILES:
O=CC1CC2C(C=C1C)C2(C)C
EC Number:
305-397-7
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.12g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.248g/mol
Monoisotopic Mass:
164.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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