Chemical ID: 5187510

CC1(OCCO1)C(CO)O
Chemical ID:
5187510
Name [?]:
1-(2-methyl-1,3-dioxolan-2-yl)ethane-1,2-diol
SMILES [?]:
CC1(OCCO1)C(CO)O
InChi [?]:
InChI=1/C6H12O4/c1-6(5(8)4-7)9-2-3-10-6/h5,7-8H,2-4H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,8,7,2,9,10,3,6/E:(2,3)(9,10)/rA:10cCCOCCOCCOO/rB:s1;s2;s3;s4;s2s5;s2;s7;s8;s7;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H12O4
All Atoms:10
Heavy Atoms:10
Chiral Atoms:1
ZAP Information [?]
Total:3.18091
Area:294.137
Solvation:-4.17251
Coulombic:-51.5179
Bond Count [?]
All:10
Single:10
Double:0
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:148.157
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:-1.17
LogP (Chemaxon):-0.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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