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14595-13-2 | Bicyclo[4.1.0]hept-3-ene-3-carboxaldehyde, 7,7-dimethyl-
CAS No: 14595-13-2 Catalog No: AG001DJI MDL No:
Product Description
Catalog Number:
AG001DJI
Chemical Name:
Bicyclo[4.1.0]hept-3-ene-3-carboxaldehyde, 7,7-dimethyl-
CAS Number:
14595-13-2
Molecular Formula:
C10H14O
Molecular Weight:
150.2176
IUPAC Name:
7,7-dimethylbicyclo[4.1.0]hept-3-ene-3-carbaldehyde
InChI:
InChI=1S/C10H14O/c1-10(2)8-4-3-7(6-11)5-9(8)10/h3,6,8-9H,4-5H2,1-2H3
InChI Key:
UUEWWPMRAWHKBO-UHFFFAOYSA-N
SMILES:
O=CC1=CCC2C(C1)C2(C)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.104g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.221g/mol
Monoisotopic Mass:
150.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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