2-[1-(carboxymethyl)-3-methyl-cyclohexyl]acetic acid 5345-12-0 CAS NO.5345-12-0

Min.Order: 1 Gram
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Product Details

Keywords

2-[1-(carboxymethyl)-3-methyl-cyclohexyl]acetic acid
5345-12-0
C11H18O4

Quick Details

ProName: 2-[1-(carboxymethyl)-3-methyl-cyclohex...
CasNo: 5345-12-0
Molecular Formula: C11H18O4
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: according to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 1 Metric Ton/Month
Purity: 98%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram
Heavy metal: N/A
Grade: Industrial Grade

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Details

Identification and Related Records
【Name】
2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
【CAS Registry number】
5345-12-0
【Synonyms】
NSC3001
MLS000736492
2,2'
-(3-methylcyclohexane-1,1-diyl)diacetic acid
NSC-3001
AC1Q5VGQ
AC1L58P3
HMS2813A12
AR-1D0107
NCI60_002517
SMR000528042
2-[1-(carboxymethyl)-3-methyl-cyclohexyl]acetic acid
2-[1-(carboxymethyl)-3-methylcyclohexyl]acetic acid
【Molecular Formula】
C11H18O4 (Products with the same molecular formula)
【Molecular Weight】
214.2582
【Inchi】
InChI=1/C11H18O4/c1-8-3-2-4-11(5-8,6-9(12)13)7-10(14)15/h8H,2-7H2,1H3,(H,12,13)(H,14,15)
【Canonical SMILES】
CC1CCCC(C1)(CC(=O)O)CC(=O)O
【MOL File】
5345-12-0.mol
Chemical and Physical Properties
【Density】
1.132g/cm3
【Boiling Point】
404.4°C at 760 mmHg
【Refractive Index】
1.483
【Flash Point】
212.5°C
【Computed Properties】
Molecular Weight:214.25822 [g/mol]
Molecular Formula:C11H18O4
XLogP3-AA:2.1
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:4
Exact Mass:214.120509
MonoIsotopic Mass:214.120509
Topological Polar Surface Area:74.6
Heavy Atom Count:15
Formal Charge:0
Complexity:243
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:4
Feature 3D Anion Count:2
Feature 3D Ring Count:1
Effective Rotor Count:5.2
Conformer Sampling RMSD:0.6
CID Conformer Count:47

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