Phthalic Acid Monomethyl Ester-D4

CAT: 1299-RG-A260513-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A260513-01Size:10 mg

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CAS Number

1276197-40-0

Synonyms

Phthalic Acid Monomethyl Ester-D4

Molecular Formula

C9H4D4O4

Molecular Weight

184.18

Product Name Synonym

Phthalic Acid Monomethyl Ester-D4

Chemical Information

2-(Methoxycarbonyl)(~2~H_4_)benzoic acid

CAS Number	1276197-40-0
PubChem CID	71750650
IUPAC Name	2,3,4,5-tetradeuterio-6-methoxycarbonylbenzoic acid
Molecular Formula	C9H8O4
Molecular Weight	184.18
XLogP	1.1
Topological Polar Surface Area	63.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	212

SMILES

[2H]C1=C(C(=C(C(=C1[2H])C(=O)O)C(=O)OC)[2H])[2H]

InChI

InChI=1S/C9H8O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3,(H,10,11)/i2D,3D,4D,5D

InChIKey

FNJSWIPFHMKRAT-QFFDRWTDSA-N

Chemical Structure

2D Structure

CAS: 1276197-40-0

CID: 71750650

Formula: C9H8O4

MW: 184.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.18
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	184.06736572
Monoisotopic Mass	184.06736572
Topological Polar Surface Area	63.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	212
Isotope Atom Count	4
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RG-A260520-01	Phthalic Acid Diallyl Ester
RG-A260481-01	Phthalic Acid Bis (Methylglycol) Ester
RG-A260482-01	Phthalic Acid Di-N-Octyl Ester
RG-A260521-01	Phthalic Acid, Bis-N-Pentyl Ester
RM-C252001-01	[5']Cytidylic Acid Monomethyl Ester
RG-M052102-01	D-Tartaric Acid Monomethyl Ester
RM-F131827-01	Fumaric Acid Monomethyl Ester-D3
RG-A260744-01	Phthalic Acid Mono (2-Ethylhexyl) Ester (Mehp)
RM-E300003-01	MonoMethyl auristatin-D4
RM-S067645-01	Salicylic Acid Methyl Ester-D4

Catalog	Name
165942	Phthalic Acid 8-Methylnonyl Ester-d4
TMIJ-0413-01	Phthalic acid, bis-propyl ester-d4
TRC-P384507-25MG	Phthalic Acid-d4 1-Ethylpropyl Ester
TRC-P384522-25MG	Phthalic Acid Cyclohexyl Isobutyl Ester-d4
TMIJ-0412-01	Phthalic acid, bis-isobutyl ester-d4
sc-477521	Phthalic Acid-d4 Mono-tetrahydrogeranyl Ester
MBS6037363-01	Phthalic Acid-d4
HY-W019814-01	Phthalic Acid Anhydride-d4
HY-113220S-01	Monoisobutyl phthalic acid-d4
TMIJ-0368-01	Phthalic acid, bis-2-n-butoxyethyl ester-d4