Chemical ID: 6687523

CCC(CO)OC(=O)C(=C)C
Chemical ID:
6687523
Name [?]:
1-(hydroxymethyl)propyl 2-methylprop-2-enoate
SMILES [?]:
CCC(CO)OC(=O)C(=C)C
InChi [?]:
InChI=1/C8H14O3/c1-4-7(5-9)11-8(10)6(2)3/h7,9H,2,4-5H2,1,3H3
InChi Info:
AuxInfo=1/0/N:1,10,11,2,4,9,3,7,5,8,6/rA:11cCCCCOOCOCCC/rB:s1;s2;s3;s4;s3;s6;d7;s7;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H14O3
All Atoms:11
Heavy Atoms:11
Chiral Atoms:1
ZAP Information [?]
Total:5.65949
Area:333.29
Solvation:-2.67276
Coulombic:-37.2167
Bond Count [?]
All:10
Single:8
Double:2
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:158.195
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.79
LogP (Chemaxon):1.33

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Experimental Annotations

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Descriptor Annotations

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