Chemical ID: 4950580

CC(C=O)c1ccc(cc1)OC
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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