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12622-07-0 | Cyclopenteneacetaldehyde, trimethyl- (9CI)
CAS No: 12622-07-0 Catalog No: AG000SDV MDL No:
Product Description
Catalog Number:
AG000SDV
Chemical Name:
Cyclopenteneacetaldehyde, trimethyl- (9CI)
CAS Number:
12622-07-0
Molecular Formula:
C10H16O
Molecular Weight:
152.2334
IUPAC Name:
2-(2,3,3-trimethylcyclopenten-1-yl)acetaldehyde
InChI:
InChI=1S/C10H16O/c1-8-9(5-7-11)4-6-10(8,2)3/h7H,4-6H2,1-3H3
InChI Key:
BSWFXYISSJCWRY-UHFFFAOYSA-N
SMILES:
O=CCC1=C(C)C(CC1)(C)C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.12g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.237g/mol
Monoisotopic Mass:
152.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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