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21573-69-3 | 1-Phenylcyclopentanecarboxaldehyde
CAS No: 21573-69-3 Catalog No: AG00BH1W MDL No:MFCD11040233
Product Description
Catalog Number:
AG00BH1W
Chemical Name:
1-Phenylcyclopentanecarboxaldehyde
CAS Number:
21573-69-3
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
MDL Number:
MFCD11040233
IUPAC Name:
1-phenylcyclopentane-1-carbaldehyde
InChI:
InChI=1S/C12H14O/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2
InChI Key:
KZCVVVIPPHGCOH-UHFFFAOYSA-N
SMILES:
O=CC1(CCCC1)c1ccccc1
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.104g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.243g/mol
Monoisotopic Mass:
174.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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