2.0
2015-09-08 17:48:42 -0600
2016-09-13 16:35:33 -0600
ECMDB24046
M2MDB006163
2-Methylcitric acid
2-Methylcitrate
2-hydroxy-1-methylpropane-1,2,3-tricarboxylic acid
methylcitric acid
logp
-0.89
logs
-0.07
solubility
1.75e+02 g/l
logp
-0.78
pka_strongest_acidic
3.18
pka_strongest_basic
-4.3
iupac
2-hydroxy-1-methylpropane-1,2,3-tricarboxylic acid
polar_surface_area
132.13
refractivity
40.2
polarizability
17.21
rotatable_bond_count
5
acceptor_count
7
donor_count
4
physiological_charge
-3
formal_charge
0
Specdb::CMs
19689
Specdb::CMs
37480
Specdb::CMs
168528
Specdb::CMs
1060058
Specdb::CMs
1060060
Specdb::CMs
1060062
Specdb::CMs
1060063
Specdb::CMs
1060064
Specdb::CMs
1060066
Specdb::CMs
1060068
Specdb::CMs
1060070
Specdb::CMs
1060072
Specdb::CMs
1060073
Specdb::CMs
1060075
Specdb::CMs
1060077
Specdb::CMs
1060079
Specdb::CMs
1060081
Specdb::CMs
1060083
Specdb::CMs
1060084
Specdb::CMs
1060086
Specdb::CMs
1060088
Specdb::CMs
1060090
Specdb::CMs
1060091
Specdb::CMs
1060093
Specdb::CMs
1060095
Specdb::NmrOneD
6682
Specdb::NmrOneD
6683
Specdb::NmrOneD
6684
Specdb::NmrOneD
6685
Specdb::NmrOneD
6686
Specdb::NmrOneD
6687
Specdb::NmrOneD
6688
Specdb::NmrOneD
6689
Specdb::NmrOneD
6690
Specdb::NmrOneD
6691
Specdb::NmrOneD
6692
Specdb::NmrOneD
6693
Specdb::NmrOneD
6694
Specdb::NmrOneD
6695
Specdb::NmrOneD
6696
Specdb::NmrOneD
6697
Specdb::NmrOneD
6698
Specdb::NmrOneD
6699
Specdb::NmrOneD
6700
Specdb::NmrOneD
6701
Specdb::MsMs
26378
Specdb::MsMs
26379
Specdb::MsMs
26380
Specdb::MsMs
32936
Specdb::MsMs
32937
Specdb::MsMs
32938
Specdb::MsMs
2283832
Specdb::MsMs
2283833
Specdb::MsMs
2283834
Specdb::MsMs
3081321
Specdb::MsMs
3081322
Specdb::MsMs
3081323