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30897-75-7 | Bicyclo[3.1.1]hept-2-ene-2-acetaldehyde, 6,6-dimethyl-
CAS No: 30897-75-7 Catalog No: AG0031LS MDL No:
Product Description
Catalog Number:
AG0031LS
Chemical Name:
Bicyclo[3.1.1]hept-2-ene-2-acetaldehyde, 6,6-dimethyl-
CAS Number:
30897-75-7
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
IUPAC Name:
2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)acetaldehyde
InChI:
InChI=1S/C11H16O/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h3,6,9-10H,4-5,7H2,1-2H3
InChI Key:
BLKPFVWYBFDTPX-UHFFFAOYSA-N
SMILES:
O=CCC1=CCC2CC1C2(C)C
EC Number:
250-376-7
Properties
Complexity:
237
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:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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