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Chemical ID: 4950580
Chemical ID:
4950580
Name [?]:
2-(4-methoxyphenyl)propanal
SMILES [?]:
CC(C=O)c1ccc(cc1)OC
InChi [?]:
InChI=1/C10H12O2/c1-8(7-11)9-3-5-10(12-2)6-4-9/h3-8H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,6,10,7,9,3,2,5,8,4,11/E:(3,4)(5,6)/rA:12cCCCOCCCCCCOC/rB:s1;s2;d3;s2;s5;d6;s7;d8;d5s9;s8;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.08828 |
Area: | 340.418 |
Solvation: | -3.42216 |
Coulombic: | -14.5903 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 164.201 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.99 |
LogP (Chemaxon): | 1.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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