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29548-14-9 | 3-Cyclohexene-1-acetaldehyde, α,4-dimethyl-
CAS No: 29548-14-9 Catalog No: AG002YPS MDL No:
Product Description
Catalog Number:
AG002YPS
Chemical Name:
3-Cyclohexene-1-acetaldehyde, α,4-dimethyl-
CAS Number:
29548-14-9
Molecular Formula:
C10H16O
Molecular Weight:
152.2334
IUPAC Name:
2-(4-methylcyclohex-3-en-1-yl)propanal
InChI:
InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,9-10H,4-6H2,1-2H3
InChI Key:
UMEJBWOWZDRULR-UHFFFAOYSA-N
SMILES:
O=CC(C1CCC(=CC1)C)C
EC Number:
249-688-6
FEMA Number:
3178
Properties
Complexity:
170
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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